[2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine

C14H20ClNS — CID 43530381

IUPAC[2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Sc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNS/c1-10-6-7-11(9-16)14(8-10)17-13-5-3-2-4-12(13)15/h2-5,10-11,14H,6-9,16H2,1H3
InChIKeyNDXWJJBWCVAJCN-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.20
Rot. Bonds3

About [2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine

[2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine (PubChem CID 43530381) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is [2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine
PubChem CID43530381
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name[2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Sc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNS/c1-10-6-7-11(9-16)14(8-10)17-13-5-3-2-4-12(13)15/h2-5,10-11,14H,6-9,16H2,1H3
InChIKeyNDXWJJBWCVAJCN-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine (CID 43530381) is [2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(Sc2ccccc2Cl)C1.
What is the InChIKey of [2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine?
The InChIKey is NDXWJJBWCVAJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-10-6-7-11(9-16)14(8-10)17-13-5-3-2-4-12(13)15/h2-5,10-11,14H,6-9,16H2,1H3.
What are the key properties of [2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine?
[2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine has a molecular weight of 269.84 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)sulfanyl-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 43530381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).