N-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide

C14H28N4O5S2 — CID 10046311

IUPACN-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide
SMILESCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[C@@H]([C@H](N)C(=O)N2CCCC2)C1
InChIInChI=1S/C14H28N4O5S2/c1-24(20,21)16-6-9-25(22,23)17-12-5-4-11(10-12)13(15)14(19)18-7-2-3-8-18/h11-13,16-17H,2-10,15H2,1H3/t11-,12-,13+/m1/s1
InChIKeyVVBQVWPKSMHESE-UPJWGTAASA-N
MW396.54 g/mol
LogP-1.43
Rot. Bonds8

About N-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide

N-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide (PubChem CID 10046311) has the molecular formula C14H28N4O5S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide
PubChem CID10046311
Molecular FormulaC14H28N4O5S2
Molecular Weight396.54 g/mol
Exact Mass396.15
IUPAC NameN-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide
SMILESCS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[C@@H]([C@H](N)C(=O)N2CCCC2)C1
InChIInChI=1S/C14H28N4O5S2/c1-24(20,21)16-6-9-25(22,23)17-12-5-4-11(10-12)13(15)14(19)18-7-2-3-8-18/h11-13,16-17H,2-10,15H2,1H3/t11-,12-,13+/m1/s1
InChIKeyVVBQVWPKSMHESE-UPJWGTAASA-N
XLogP-1.43
TPSA138.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide 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-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide?
The IUPAC name of N-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide (CID 10046311) is N-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide.
What is the SMILES notation for N-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide?
The canonical SMILES for N-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide is CS(=O)(=O)NCCS(=O)(=O)N[C@@H]1CC[C@@H]([C@H](N)C(=O)N2CCCC2)C1.
What is the InChIKey of N-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide?
The InChIKey is VVBQVWPKSMHESE-UPJWGTAASA-N. The full InChI is InChI=1S/C14H28N4O5S2/c1-24(20,21)16-6-9-25(22,23)17-12-5-4-11(10-12)13(15)14(19)18-7-2-3-8-18/h11-13,16-17H,2-10,15H2,1H3/t11-,12-,13+/m1/s1.
What are the key properties of N-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide?
N-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide has a molecular weight of 396.54 g/mol, XLogP of -1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-[(1S)-1-amino-2-oxo-2-pyrrolidin-1-ylethyl]cyclopentyl]-2-(methanesulfonamido)ethanesulfonamide is sourced from PubChem (CID 10046311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).