N-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide

C18H27N3O5S2 — CID 75006551

IUPACN-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(C(N)C(=O)N3CCCC3)C2)cc1
InChIInChI=1S/C18H27N3O5S2/c1-27(23,24)15-6-8-16(9-7-15)28(25,26)20-14-5-4-13(12-14)17(19)18(22)21-10-2-3-11-21/h6-9,13-14,17,20H,2-5,10-12,19H2,1H3
InChIKeySCJLBSUVLVWJKA-UHFFFAOYSA-N
MW429.56 g/mol
LogP0.49
Rot. Bonds6

About N-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide

N-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide (PubChem CID 75006551) has the molecular formula C18H27N3O5S2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide
PubChem CID75006551
Molecular FormulaC18H27N3O5S2
Molecular Weight429.56 g/mol
Exact Mass429.14
IUPAC NameN-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(C(N)C(=O)N3CCCC3)C2)cc1
InChIInChI=1S/C18H27N3O5S2/c1-27(23,24)15-6-8-16(9-7-15)28(25,26)20-14-5-4-13(12-14)17(19)18(22)21-10-2-3-11-21/h6-9,13-14,17,20H,2-5,10-12,19H2,1H3
InChIKeySCJLBSUVLVWJKA-UHFFFAOYSA-N
XLogP0.49
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide 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-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide (CID 75006551) is N-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1ccc(S(=O)(=O)NC2CCC(C(N)C(=O)N3CCCC3)C2)cc1.
What is the InChIKey of N-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide?
The InChIKey is SCJLBSUVLVWJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S2/c1-27(23,24)15-6-8-16(9-7-15)28(25,26)20-14-5-4-13(12-14)17(19)18(22)21-10-2-3-11-21/h6-9,13-14,17,20H,2-5,10-12,19H2,1H3.
What are the key properties of N-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide?
N-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide has a molecular weight of 429.56 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclopentyl]-4-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 75006551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).