N-(azepan-4-yl)-3-methylsulfonylpropanamide

C10H20N2O3S — CID 107172326

IUPACN-(azepan-4-yl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NC1CCCNCC1
InChIInChI=1S/C10H20N2O3S/c1-16(14,15)8-5-10(13)12-9-3-2-6-11-7-4-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyUCIIHERRYGABBO-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.32
Rot. Bonds4

About N-(azepan-4-yl)-3-methylsulfonylpropanamide

N-(azepan-4-yl)-3-methylsulfonylpropanamide (PubChem CID 107172326) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(azepan-4-yl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-3-methylsulfonylpropanamide
PubChem CID107172326
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(azepan-4-yl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NC1CCCNCC1
InChIInChI=1S/C10H20N2O3S/c1-16(14,15)8-5-10(13)12-9-3-2-6-11-7-4-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyUCIIHERRYGABBO-UHFFFAOYSA-N
XLogP-0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(azepan-4-yl)-3-methylsulfonylpropanamide 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-(azepan-4-yl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(azepan-4-yl)-3-methylsulfonylpropanamide (CID 107172326) is N-(azepan-4-yl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(azepan-4-yl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(azepan-4-yl)-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)NC1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-3-methylsulfonylpropanamide?
The InChIKey is UCIIHERRYGABBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-16(14,15)8-5-10(13)12-9-3-2-6-11-7-4-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of N-(azepan-4-yl)-3-methylsulfonylpropanamide?
N-(azepan-4-yl)-3-methylsulfonylpropanamide has a molecular weight of 248.35 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 107172326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).