[2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine

C13H18ClNS — CID 43530125

IUPAC[2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine
SMILESNCC1CCCCC1Sc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h5-8,10,13H,1-4,9,15H2
InChIKeyURZKYMAWJRFHDT-UHFFFAOYSA-N
MW255.81 g/mol
LogP3.95
Rot. Bonds3

About [2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine

[2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine (PubChem CID 43530125) has the molecular formula C13H18ClNS and a molecular weight of 255.81 g/mol. Its IUPAC name is [2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine
PubChem CID43530125
Molecular FormulaC13H18ClNS
Molecular Weight255.81 g/mol
Exact Mass255.08
IUPAC Name[2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine
SMILESNCC1CCCCC1Sc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h5-8,10,13H,1-4,9,15H2
InChIKeyURZKYMAWJRFHDT-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine?
The IUPAC name of [2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine (CID 43530125) is [2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine is NCC1CCCCC1Sc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine?
The InChIKey is URZKYMAWJRFHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h5-8,10,13H,1-4,9,15H2.
What are the key properties of [2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine?
[2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine has a molecular weight of 255.81 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)sulfanylcyclohexyl]methanamine is sourced from PubChem (CID 43530125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).