N-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide

C13H15ClN2O2S — CID 154598203

IUPACN-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
SMILESC[C@]1(c2ccc(Cl)s2)NC(=O)C[C@@H]1NC(=O)C1CC1
InChIInChI=1S/C13H15ClN2O2S/c1-13(9-4-5-10(14)19-9)8(6-11(17)16-13)15-12(18)7-2-3-7/h4-5,7-8H,2-3,6H2,1H3,(H,15,18)(H,16,17)/t8-,13-/m0/s1
InChIKeyWVKOSCZITRTMQQ-SDBXPKJASA-N
MW298.80 g/mol
LogP2.03
Rot. Bonds3

About N-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide

N-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 154598203) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is N-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID154598203
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC NameN-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide
SMILESC[C@]1(c2ccc(Cl)s2)NC(=O)C[C@@H]1NC(=O)C1CC1
InChIInChI=1S/C13H15ClN2O2S/c1-13(9-4-5-10(14)19-9)8(6-11(17)16-13)15-12(18)7-2-3-7/h4-5,7-8H,2-3,6H2,1H3,(H,15,18)(H,16,17)/t8-,13-/m0/s1
InChIKeyWVKOSCZITRTMQQ-SDBXPKJASA-N
XLogP2.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide 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-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide (CID 154598203) is N-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide is C[C@]1(c2ccc(Cl)s2)NC(=O)C[C@@H]1NC(=O)C1CC1.
What is the InChIKey of N-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is WVKOSCZITRTMQQ-SDBXPKJASA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c1-13(9-4-5-10(14)19-9)8(6-11(17)16-13)15-12(18)7-2-3-7/h4-5,7-8H,2-3,6H2,1H3,(H,15,18)(H,16,17)/t8-,13-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 298.80 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(5-chlorothiophen-2-yl)-2-methyl-5-oxopyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 154598203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).