3-(propan-2-ylsulfamoylamino)azepan-2-one

C9H19N3O3S — CID 75499175

IUPAC3-(propan-2-ylsulfamoylamino)azepan-2-one
SMILESCC(C)NS(=O)(=O)NC1CCCCNC1=O
InChIInChI=1S/C9H19N3O3S/c1-7(2)11-16(14,15)12-8-5-3-4-6-10-9(8)13/h7-8,11-12H,3-6H2,1-2H3,(H,10,13)
InChIKeyBCIAYBFBYYYPBP-UHFFFAOYSA-N
MW249.34 g/mol
LogP-0.51
Rot. Bonds4

About 3-(propan-2-ylsulfamoylamino)azepan-2-one

3-(propan-2-ylsulfamoylamino)azepan-2-one (PubChem CID 75499175) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(propan-2-ylsulfamoylamino)azepan-2-one.

Molecular Properties

Compound Name3-(propan-2-ylsulfamoylamino)azepan-2-one
PubChem CID75499175
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Name3-(propan-2-ylsulfamoylamino)azepan-2-one
SMILESCC(C)NS(=O)(=O)NC1CCCCNC1=O
InChIInChI=1S/C9H19N3O3S/c1-7(2)11-16(14,15)12-8-5-3-4-6-10-9(8)13/h7-8,11-12H,3-6H2,1-2H3,(H,10,13)
InChIKeyBCIAYBFBYYYPBP-UHFFFAOYSA-N
XLogP-0.51
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(propan-2-ylsulfamoylamino)azepan-2-one 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-(propan-2-ylsulfamoylamino)azepan-2-one?
The IUPAC name of 3-(propan-2-ylsulfamoylamino)azepan-2-one (CID 75499175) is 3-(propan-2-ylsulfamoylamino)azepan-2-one.
What is the SMILES notation for 3-(propan-2-ylsulfamoylamino)azepan-2-one?
The canonical SMILES for 3-(propan-2-ylsulfamoylamino)azepan-2-one is CC(C)NS(=O)(=O)NC1CCCCNC1=O.
What is the InChIKey of 3-(propan-2-ylsulfamoylamino)azepan-2-one?
The InChIKey is BCIAYBFBYYYPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-7(2)11-16(14,15)12-8-5-3-4-6-10-9(8)13/h7-8,11-12H,3-6H2,1-2H3,(H,10,13).
What are the key properties of 3-(propan-2-ylsulfamoylamino)azepan-2-one?
3-(propan-2-ylsulfamoylamino)azepan-2-one has a molecular weight of 249.34 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfamoylamino)azepan-2-one is sourced from PubChem (CID 75499175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).