[2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine

C12H16ClNS — CID 43530378

IUPAC[2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine
SMILESNCC1CCCC1Sc1ccccc1Cl
InChIInChI=1S/C12H16ClNS/c13-10-5-1-2-6-12(10)15-11-7-3-4-9(11)8-14/h1-2,5-6,9,11H,3-4,7-8,14H2
InChIKeyZKJAUEODAJBYCK-UHFFFAOYSA-N
MW241.79 g/mol
LogP3.56
Rot. Bonds3

About [2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine

[2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine (PubChem CID 43530378) has the molecular formula C12H16ClNS and a molecular weight of 241.79 g/mol. Its IUPAC name is [2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine
PubChem CID43530378
Molecular FormulaC12H16ClNS
Molecular Weight241.79 g/mol
Exact Mass241.07
IUPAC Name[2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine
SMILESNCC1CCCC1Sc1ccccc1Cl
InChIInChI=1S/C12H16ClNS/c13-10-5-1-2-6-12(10)15-11-7-3-4-9(11)8-14/h1-2,5-6,9,11H,3-4,7-8,14H2
InChIKeyZKJAUEODAJBYCK-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine?
The IUPAC name of [2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine (CID 43530378) is [2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine.
What is the SMILES notation for [2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine?
The canonical SMILES for [2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine is NCC1CCCC1Sc1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine?
The InChIKey is ZKJAUEODAJBYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNS/c13-10-5-1-2-6-12(10)15-11-7-3-4-9(11)8-14/h1-2,5-6,9,11H,3-4,7-8,14H2.
What are the key properties of [2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine?
[2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine has a molecular weight of 241.79 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)sulfanylcyclopentyl]methanamine is sourced from PubChem (CID 43530378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).