N-(2-methylbutan-2-yl)propane-2-sulfonamide

C8H19NO2S — CID 61362230

IUPACN-(2-methylbutan-2-yl)propane-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO2S/c1-6-8(4,5)9-12(10,11)7(2)3/h7,9H,6H2,1-5H3
InChIKeyOUAWWUMJOTYNBV-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.50
Rot. Bonds4

About N-(2-methylbutan-2-yl)propane-2-sulfonamide

N-(2-methylbutan-2-yl)propane-2-sulfonamide (PubChem CID 61362230) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)propane-2-sulfonamide
PubChem CID61362230
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-(2-methylbutan-2-yl)propane-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)C(C)C
InChIInChI=1S/C8H19NO2S/c1-6-8(4,5)9-12(10,11)7(2)3/h7,9H,6H2,1-5H3
InChIKeyOUAWWUMJOTYNBV-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methylbutan-2-yl)propane-2-sulfonamide 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-(2-methylbutan-2-yl)propane-2-sulfonamide?
The IUPAC name of N-(2-methylbutan-2-yl)propane-2-sulfonamide (CID 61362230) is N-(2-methylbutan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)propane-2-sulfonamide?
The canonical SMILES for N-(2-methylbutan-2-yl)propane-2-sulfonamide is CCC(C)(C)NS(=O)(=O)C(C)C.
What is the InChIKey of N-(2-methylbutan-2-yl)propane-2-sulfonamide?
The InChIKey is OUAWWUMJOTYNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-6-8(4,5)9-12(10,11)7(2)3/h7,9H,6H2,1-5H3.
What are the key properties of N-(2-methylbutan-2-yl)propane-2-sulfonamide?
N-(2-methylbutan-2-yl)propane-2-sulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 61362230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).