2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C12H16ClNS — CID 81252369

IUPAC2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2NC1CCCC1
InChIInChI=1S/C12H16ClNS/c13-12-7-9-10(5-6-11(9)15-12)14-8-3-1-2-4-8/h7-8,10,14H,1-6H2
InChIKeyACHUIVJFCHMGPV-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.92
Rot. Bonds2

About 2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252369) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252369
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2NC1CCCC1
InChIInChI=1S/C12H16ClNS/c13-12-7-9-10(5-6-11(9)15-12)14-8-3-1-2-4-8/h7-8,10,14H,1-6H2
InChIKeyACHUIVJFCHMGPV-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-cyclopropyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252766
4-N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)cyclohexane-1,4-diamine
CID 82689761
2-chloro-N-(4-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686258
2-chloro-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82687264
2-chloro-N-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 82706025
2-chloro-N-(3,5-dimethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690575
1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 81235603
2-bromo-N-cyclohexyl-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686248
2-chloro-N-(thian-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252717
1-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]piperidin-1-yl]-2-methoxyethanone
CID 81234116
2-chloro-N-(2-piperidin-1-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252699
2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252155

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252369) is 2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Clc1cc2c(s1)CCC2NC1CCCC1.
What is the InChIKey of 2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is ACHUIVJFCHMGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c13-12-7-9-10(5-6-11(9)15-12)14-8-3-1-2-4-8/h7-8,10,14H,1-6H2.
What are the key properties of 2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 241.79 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).