3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine

C14H16ClNS — CID 167908070

IUPAC3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine
SMILESCC1CCCC1Nc1ccc2c(Cl)csc2c1
InChIInChI=1S/C14H16ClNS/c1-9-3-2-4-13(9)16-10-5-6-11-12(15)8-17-14(11)7-10/h5-9,13,16H,2-4H2,1H3
InChIKeyRTIFEJHIHIJZQN-UHFFFAOYSA-N
MW265.81 g/mol
LogP5.16
Rot. Bonds2

About 3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine

3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine (PubChem CID 167908070) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine.

Molecular Properties

Compound Name3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine
PubChem CID167908070
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine
SMILESCC1CCCC1Nc1ccc2c(Cl)csc2c1
InChIInChI=1S/C14H16ClNS/c1-9-3-2-4-13(9)16-10-5-6-11-12(15)8-17-14(11)7-10/h5-9,13,16H,2-4H2,1H3
InChIKeyRTIFEJHIHIJZQN-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.81
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 107678036
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CID 65044373
2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
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4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine
CID 63278049
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
CID 106750255
4-[(2-methylcyclopentyl)amino]benzene-1,2-dicarbonitrile
CID 107788162
N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide
CID 43744752
3-chloro-N-(2,3-dimethylcyclohexyl)-4-methoxyaniline
CID 64774712
N-(2-methylcyclopentyl)-2H-benzotriazol-5-amine
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CID 102824270

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine?
The IUPAC name of 3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine (CID 167908070) is 3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine.
What is the SMILES notation for 3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine?
The canonical SMILES for 3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine is CC1CCCC1Nc1ccc2c(Cl)csc2c1.
What is the InChIKey of 3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine?
The InChIKey is RTIFEJHIHIJZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-9-3-2-4-13(9)16-10-5-6-11-12(15)8-17-14(11)7-10/h5-9,13,16H,2-4H2,1H3.
What are the key properties of 3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine?
3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine has a molecular weight of 265.81 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylcyclopentyl)-1-benzothiophen-6-amine is sourced from PubChem (CID 167908070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).