(3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine

C11H16ClNS — CID 103405143

IUPAC(3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine
SMILESCc1csc(C(N)C2CCCC2)c1Cl
InChIInChI=1S/C11H16ClNS/c1-7-6-14-11(9(7)12)10(13)8-4-2-3-5-8/h6,8,10H,2-5,13H2,1H3
InChIKeySXPFRXWJAVCGJH-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.90
Rot. Bonds2

About (3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine

(3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine (PubChem CID 103405143) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine
PubChem CID103405143
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine
SMILESCc1csc(C(N)C2CCCC2)c1Cl
InChIInChI=1S/C11H16ClNS/c1-7-6-14-11(9(7)12)10(13)8-4-2-3-5-8/h6,8,10H,2-5,13H2,1H3
InChIKeySXPFRXWJAVCGJH-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3-chloro-4-methylthiophen-2-yl)-cycloheptylmethyl]hydrazine
CID 103408753
1-(3-chloro-4-methylthiophen-2-yl)-2-cyclopentylethanol
CID 103407933
[(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 103408657
4-[(R)-amino(cyclohexyl)methyl]-3,5-dimethylphenol;hydrochloride
CID 171198721
3-chloro-4-methyl-2-propan-2-ylthiophene
CID 58718163
(3-chloro-4-methylthiophen-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 103407202
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 103405354
(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171210736
(R)-(2-chloro-6-fluoro-3-methylphenyl)-cyclopentylmethanamine
CID 171209698
(R)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171204433
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968
cycloheptyl-(2,4,6-trimethylphenyl)methanamine
CID 63522004

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine (CID 103405143) is (3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine is Cc1csc(C(N)C2CCCC2)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine?
The InChIKey is SXPFRXWJAVCGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-7-6-14-11(9(7)12)10(13)8-4-2-3-5-8/h6,8,10H,2-5,13H2,1H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine?
(3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine has a molecular weight of 229.78 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-cyclopentylmethanamine is sourced from PubChem (CID 103405143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).