N-(2-methylbutan-2-yl)propane-1-sulfonamide

C8H19NO2S — CID 60643309

IUPACN-(2-methylbutan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)(C)CC
InChIInChI=1S/C8H19NO2S/c1-5-7-12(10,11)9-8(3,4)6-2/h9H,5-7H2,1-4H3
InChIKeyKXDZIULZEQVDPN-UHFFFAOYSA-N
MW193.31 g/mol
LogP1.50
Rot. Bonds5

About N-(2-methylbutan-2-yl)propane-1-sulfonamide

N-(2-methylbutan-2-yl)propane-1-sulfonamide (PubChem CID 60643309) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)propane-1-sulfonamide
PubChem CID60643309
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC NameN-(2-methylbutan-2-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)(C)CC
InChIInChI=1S/C8H19NO2S/c1-5-7-12(10,11)9-8(3,4)6-2/h9H,5-7H2,1-4H3
InChIKeyKXDZIULZEQVDPN-UHFFFAOYSA-N
XLogP1.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-1-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-1-sulfonamide?
The IUPAC name of N-(2-methylbutan-2-yl)propane-1-sulfonamide (CID 60643309) is N-(2-methylbutan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)propane-1-sulfonamide?
The canonical SMILES for N-(2-methylbutan-2-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC(C)(C)CC.
What is the InChIKey of N-(2-methylbutan-2-yl)propane-1-sulfonamide?
The InChIKey is KXDZIULZEQVDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-5-7-12(10,11)9-8(3,4)6-2/h9H,5-7H2,1-4H3.
What are the key properties of N-(2-methylbutan-2-yl)propane-1-sulfonamide?
N-(2-methylbutan-2-yl)propane-1-sulfonamide has a molecular weight of 193.31 g/mol, XLogP of 1.50, 5 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-1-sulfonamide is sourced from PubChem (CID 60643309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).