N-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride

C8H18ClNO2S — CID 102912857

IUPACN-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride
SMILESCC(C)C(CNS(=O)(=O)Cl)C(C)C
InChIInChI=1S/C8H18ClNO2S/c1-6(2)8(7(3)4)5-10-13(9,11)12/h6-8,10H,5H2,1-4H3
InChIKeyLPIWKAZODLVOMT-UHFFFAOYSA-N
MW227.76 g/mol
LogP1.99
Rot. Bonds5

About N-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride

N-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride (PubChem CID 102912857) has the molecular formula C8H18ClNO2S and a molecular weight of 227.76 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride
PubChem CID102912857
Molecular FormulaC8H18ClNO2S
Molecular Weight227.76 g/mol
Exact Mass227.07
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride
SMILESCC(C)C(CNS(=O)(=O)Cl)C(C)C
InChIInChI=1S/C8H18ClNO2S/c1-6(2)8(7(3)4)5-10-13(9,11)12/h6-8,10H,5H2,1-4H3
InChIKeyLPIWKAZODLVOMT-UHFFFAOYSA-N
XLogP1.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride (CID 102912857) is N-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride is CC(C)C(CNS(=O)(=O)Cl)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride?
The InChIKey is LPIWKAZODLVOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO2S/c1-6(2)8(7(3)4)5-10-13(9,11)12/h6-8,10H,5H2,1-4H3.
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride?
N-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride has a molecular weight of 227.76 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)sulfamoyl chloride is sourced from PubChem (CID 102912857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).