3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide

C11H24N2O2S — CID 112693152

IUPAC3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide
SMILESCC1(C)CCCN(CCCS(N)(=O)=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-11(2)5-3-7-13(9-6-11)8-4-10-16(12,14)15/h3-10H2,1-2H3,(H2,12,14,15)
InChIKeyNWYHMYLTYIZTHT-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.18
Rot. Bonds4

About 3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide

3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide (PubChem CID 112693152) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide
PubChem CID112693152
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide
SMILESCC1(C)CCCN(CCCS(N)(=O)=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-11(2)5-3-7-13(9-6-11)8-4-10-16(12,14)15/h3-10H2,1-2H3,(H2,12,14,15)
InChIKeyNWYHMYLTYIZTHT-UHFFFAOYSA-N
XLogP1.18
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4,4-dimethylazepan-1-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 3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide?
The IUPAC name of 3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide (CID 112693152) is 3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide is CC1(C)CCCN(CCCS(N)(=O)=O)CC1.
What is the InChIKey of 3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide?
The InChIKey is NWYHMYLTYIZTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(2)5-3-7-13(9-6-11)8-4-10-16(12,14)15/h3-10H2,1-2H3,(H2,12,14,15).
What are the key properties of 3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide?
3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylazepan-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 112693152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).