N,2-dimethylpentane-2-sulfonamide

C7H17NO2S — CID 173242989

IUPACN,2-dimethylpentane-2-sulfonamide
SMILESCCCC(C)(C)S(=O)(=O)NC
InChIInChI=1S/C7H17NO2S/c1-5-6-7(2,3)11(9,10)8-4/h8H,5-6H2,1-4H3
InChIKeyNAHFSLYHDGYNGV-UHFFFAOYSA-N
MW179.28 g/mol
LogP1.11
Rot. Bonds4

About N,2-dimethylpentane-2-sulfonamide

N,2-dimethylpentane-2-sulfonamide (PubChem CID 173242989) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is N,2-dimethylpentane-2-sulfonamide.

Molecular Properties

Compound NameN,2-dimethylpentane-2-sulfonamide
PubChem CID173242989
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC NameN,2-dimethylpentane-2-sulfonamide
SMILESCCCC(C)(C)S(=O)(=O)NC
InChIInChI=1S/C7H17NO2S/c1-5-6-7(2,3)11(9,10)8-4/h8H,5-6H2,1-4H3
InChIKeyNAHFSLYHDGYNGV-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,2-dimethylpentane-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

Related Compounds

2-methyl-2-methylsulfonylpentane
CID 58153427
N,3-dimethylpentane-3-sulfonamide
CID 148773695
2-methylpentane-2-sulfonyl bromide
CID 22935886
5-hydroxy-N,2,4-trimethylpentane-2-sulfonamide
CID 123591167
2-methyl-1-(methylsulfamoylamino)pentan-2-ol
CID 106290478
2-methyl-2-phosphanylpentanal
CID 145198471
N-methyl-2-methylsulfonyl-2-propylpentan-1-amine
CID 62595292
N-(4-methylheptan-4-yl)formamide
CID 54483706
2-methylpentan-2-amine;sulfuric acid
CID 174200327
2-cyano-N-methylpropane-2-sulfonamide
CID 118172771
4-(2-methylpentan-2-ylsulfonyl)morpholine
CID 138601822
2-methyl-2-propylpentanal
CID 12587446

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpentane-2-sulfonamide?
The IUPAC name of N,2-dimethylpentane-2-sulfonamide (CID 173242989) is N,2-dimethylpentane-2-sulfonamide.
What is the SMILES notation for N,2-dimethylpentane-2-sulfonamide?
The canonical SMILES for N,2-dimethylpentane-2-sulfonamide is CCCC(C)(C)S(=O)(=O)NC.
What is the InChIKey of N,2-dimethylpentane-2-sulfonamide?
The InChIKey is NAHFSLYHDGYNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-5-6-7(2,3)11(9,10)8-4/h8H,5-6H2,1-4H3.
What are the key properties of N,2-dimethylpentane-2-sulfonamide?
N,2-dimethylpentane-2-sulfonamide has a molecular weight of 179.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpentane-2-sulfonamide is sourced from PubChem (CID 173242989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).