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

C15H23NOS — CID 43530476

IUPAC[2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine
SMILESCOc1ccc(SC2CC(C)CCC2CN)cc1
InChIInChI=1S/C15H23NOS/c1-11-3-4-12(10-16)15(9-11)18-14-7-5-13(17-2)6-8-14/h5-8,11-12,15H,3-4,9-10,16H2,1-2H3
InChIKeyLDFKBNPJFCULCO-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.55
Rot. Bonds4

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

[2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine (PubChem CID 43530476) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine
PubChem CID43530476
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name[2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine
SMILESCOc1ccc(SC2CC(C)CCC2CN)cc1
InChIInChI=1S/C15H23NOS/c1-11-3-4-12(10-16)15(9-11)18-14-7-5-13(17-2)6-8-14/h5-8,11-12,15H,3-4,9-10,16H2,1-2H3
InChIKeyLDFKBNPJFCULCO-UHFFFAOYSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine (CID 43530476) is [2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine is COc1ccc(SC2CC(C)CCC2CN)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine?
The InChIKey is LDFKBNPJFCULCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11-3-4-12(10-16)15(9-11)18-14-7-5-13(17-2)6-8-14/h5-8,11-12,15H,3-4,9-10,16H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine?
[2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine has a molecular weight of 265.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)sulfanyl-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 43530476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).