4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one

C9H11ClN2OS — CID 130681741

IUPAC4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2ccsc2Cl)CN1
InChIInChI=1S/C9H11ClN2OS/c10-9-6(1-2-14-9)4-11-7-3-8(13)12-5-7/h1-2,7,11H,3-5H2,(H,12,13)
InChIKeyQTMSBMPKYCUETF-UHFFFAOYSA-N
MW230.72 g/mol
LogP1.38
Rot. Bonds3

About 4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one

4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one (PubChem CID 130681741) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one
PubChem CID130681741
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one
SMILESO=C1CC(NCc2ccsc2Cl)CN1
InChIInChI=1S/C9H11ClN2OS/c10-9-6(1-2-14-9)4-11-7-3-8(13)12-5-7/h1-2,7,11H,3-5H2,(H,12,13)
InChIKeyQTMSBMPKYCUETF-UHFFFAOYSA-N
XLogP1.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-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

Related Compounds

3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 106190644
4-[(5-chlorofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106181767
3-fluoro-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]benzonitrile
CID 114155898
4-[(5-bromothiophen-2-yl)methylamino]pyrrolidin-2-one
CID 106182710
N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide
CID 114155218
4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one
CID 114155169
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 104665443
4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one
CID 114155202
4-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pyrrolidin-2-one
CID 106181631
4-[(2,4-difluoro-5-nitrophenyl)methylamino]pyrrolidin-2-one
CID 106183585
4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106184519
4-[(4-fluoro-3-methylphenyl)methylamino]pyrrolidin-2-one
CID 106184275

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one (CID 130681741) is 4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one is O=C1CC(NCc2ccsc2Cl)CN1.
What is the InChIKey of 4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one?
The InChIKey is QTMSBMPKYCUETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2OS/c10-9-6(1-2-14-9)4-11-7-3-8(13)12-5-7/h1-2,7,11H,3-5H2,(H,12,13).
What are the key properties of 4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one?
4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one has a molecular weight of 230.72 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 130681741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).