N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine

C12H18ClNS — CID 107361249

IUPACN-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1c1sccc1Cl
InChIInChI=1S/C12H18ClNS/c1-2-14-8-9-4-3-5-10(9)12-11(13)6-7-15-12/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyQCUZTHWPGVCBLS-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.89
Rot. Bonds4

About N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine

N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine (PubChem CID 107361249) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
PubChem CID107361249
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC NameN-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1c1sccc1Cl
InChIInChI=1S/C12H18ClNS/c1-2-14-8-9-4-3-5-10(9)12-11(13)6-7-15-12/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyQCUZTHWPGVCBLS-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine 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

N-[[2-(5-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
CID 81033855
N-[[2-(3-chlorothiophen-2-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 107361308
N-[[2-(2,3-dichlorophenyl)cycloheptyl]methyl]ethanamine
CID 81025276
2-(3-chlorothiophen-2-yl)cycloheptan-1-amine
CID 107360705
N-[[2-(3-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 107361282
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]ethanamine
CID 81034147
N-[[2-(3-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 107361277
3-(3-chlorothiophen-2-yl)-N-ethylcyclohexan-1-amine
CID 107360790
N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028134
3-chloro-2-(2-chlorocycloheptyl)thiophene
CID 107360698
N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine
CID 81033025
N-[[2-(3-chlorophenyl)cycloheptyl]methyl]ethanamine
CID 81026227

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine (CID 107361249) is N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine is CCNCC1CCCC1c1sccc1Cl.
What is the InChIKey of N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine?
The InChIKey is QCUZTHWPGVCBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-2-14-8-9-4-3-5-10(9)12-11(13)6-7-15-12/h6-7,9-10,14H,2-5,8H2,1H3.
What are the key properties of N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine?
N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine has a molecular weight of 243.80 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 107361249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).