Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Clase	Organic sulfuric acids and derivatives
Subclass	Sulfuric acid diamides
Intermediate Tree Nodes	Not available
Direct Parent	Sulfuric acid diamides
Alternative Parents	Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Sulfuric acid diamide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
Descripción	This compound belongs to the class of organic compounds known as sulfuric acid diamides. These are organic compounds containing the sulfuric acid diamide functional group, with the generic structure R1N(R2)S(=O)(=O)ON(R3)R4 (R1-R4 = H or organyl.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Objetivos asociados (humanos)

CA1 Tclin Carbonic anhydrase 1 (1 Activities)

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase 2 (1 Activities)

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	152.220 g/mol
XLogP3	-0.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	152.062 Da
Monoisotopic Mass	152.062 Da
Topological Polar Surface Area	80.600 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	146.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Calculadoras de soluciones

Determine the necessary mass, volume, or concentration for preparing a solution.

Determine the dilution needed to prepare a stock solution.

Reseñas

Sonrisas canónicas	CCCCNS(=O)(=O)N
IUPAC Name	1-(sulfamoylamino)butane
InChIKey	SYIVDRTWCRQIBC-UHFFFAOYSA-N
INCHI	1S/C4H12N2O2S/c1-2-3-4-6-9(5,7)8/h6H,2-4H2,1H3,(H2,5,7,8)
Isómeros SMILES	CCCCNS(=O)(=O)N
PubChem CID	12355589
Peso molecular	152.22

N-butylsulfamide , CAS No.42731-63-5

Specifications