N-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide

C13H24N2O3S — CID 72719073

IUPACN-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide
SMILESCC(C)CS(=O)(=O)C1CN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C13H24N2O3S/c1-10(2)9-19(17,18)12-7-15(8-12)13(16)14-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H,14,16)
InChIKeyWVPMMPJEGUQXLR-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.39
Rot. Bonds4

About N-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide

N-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide (PubChem CID 72719073) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide
PubChem CID72719073
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide
SMILESCC(C)CS(=O)(=O)C1CN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C13H24N2O3S/c1-10(2)9-19(17,18)12-7-15(8-12)13(16)14-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H,14,16)
InChIKeyWVPMMPJEGUQXLR-UHFFFAOYSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide 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-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide (CID 72719073) is N-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide is CC(C)CS(=O)(=O)C1CN(C(=O)NC2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide?
The InChIKey is WVPMMPJEGUQXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-10(2)9-19(17,18)12-7-15(8-12)13(16)14-11-5-3-4-6-11/h10-12H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide?
N-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide has a molecular weight of 288.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2-methylpropylsulfonyl)azetidine-1-carboxamide is sourced from PubChem (CID 72719073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).