1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one

C14H22N2OS — CID 54977127

IUPAC1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
SMILESCc1cc(CNC(C)CN2CCCC2=O)c(C)s1
InChIInChI=1S/C14H22N2OS/c1-10(9-16-6-4-5-14(16)17)15-8-13-7-11(2)18-12(13)3/h7,10,15H,4-6,8-9H2,1-3H3
InChIKeyKNTGWLSAVPOCGI-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.47
Rot. Bonds5

About 1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one

1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 54977127) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
PubChem CID54977127
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
SMILESCc1cc(CNC(C)CN2CCCC2=O)c(C)s1
InChIInChI=1S/C14H22N2OS/c1-10(9-16-6-4-5-14(16)17)15-8-13-7-11(2)18-12(13)3/h7,10,15H,4-6,8-9H2,1-3H3
InChIKeyKNTGWLSAVPOCGI-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethylthiophen-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 54976733
1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60961488
1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 103943702
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one
CID 103792650
1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 55114701
1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 62758526
1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 80700350
1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 60936413
1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 66399198
1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 94184899
1-[(2R)-2-[(3-chloro-1-benzothiophen-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 93423385

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one (CID 54977127) is 1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one is Cc1cc(CNC(C)CN2CCCC2=O)c(C)s1.
What is the InChIKey of 1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is KNTGWLSAVPOCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(9-16-6-4-5-14(16)17)15-8-13-7-11(2)18-12(13)3/h7,10,15H,4-6,8-9H2,1-3H3.
What are the key properties of 1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one?
1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 266.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 54977127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).