1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone

C12H18N2OS — CID 115697955

IUPAC1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2sccc2C)C1
InChIInChI=1S/C12H18N2OS/c1-9-4-6-16-12(9)7-13-11-3-5-14(8-11)10(2)15/h4,6,11,13H,3,5,7-8H2,1-2H3
InChIKeyTXYWUFSFZBIUKM-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.77
Rot. Bonds3

About 1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone

1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone (PubChem CID 115697955) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone
PubChem CID115697955
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2sccc2C)C1
InChIInChI=1S/C12H18N2OS/c1-9-4-6-16-12(9)7-13-11-3-5-14(8-11)10(2)15/h4,6,11,13H,3,5,7-8H2,1-2H3
InChIKeyTXYWUFSFZBIUKM-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone 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

2-methoxy-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]ethanone
CID 43747569
2-ethyl-1-[4-[(3-methylthiophen-2-yl)methylamino]piperidin-1-yl]butan-1-one
CID 78895211
1-[(3S)-3-[(4-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone
CID 145484891
tert-butyl 4-[(3-methylthiophen-2-yl)methylamino]azepane-1-carboxylate
CID 103982485
1-[3-[(5-bromothiophen-3-yl)methylamino]pyrrolidin-1-yl]ethanone
CID 115697951
N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696483
N-[2-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]thiophen-3-yl]acetamide
CID 66387368
ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
CID 143082403
1-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 66387768
1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665
N-[(3-methylthiophen-2-yl)methyl]-1,1-dioxothian-3-amine
CID 63922527
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone (CID 115697955) is 1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(NCc2sccc2C)C1.
What is the InChIKey of 1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone?
The InChIKey is TXYWUFSFZBIUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-4-6-16-12(9)7-13-11-3-5-14(8-11)10(2)15/h4,6,11,13H,3,5,7-8H2,1-2H3.
What are the key properties of 1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone?
1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone has a molecular weight of 238.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-methylthiophen-2-yl)methylamino]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 115697955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).