(4-methyl-2-phenylsulfanylcyclohexyl)methanamine

C14H21NS — CID 43530146

IUPAC(4-methyl-2-phenylsulfanylcyclohexyl)methanamine
SMILESCC1CCC(CN)C(Sc2ccccc2)C1
InChIInChI=1S/C14H21NS/c1-11-7-8-12(10-15)14(9-11)16-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10,15H2,1H3
InChIKeyIQLSRUGGJGUCBY-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.54
Rot. Bonds3

About (4-methyl-2-phenylsulfanylcyclohexyl)methanamine

(4-methyl-2-phenylsulfanylcyclohexyl)methanamine (PubChem CID 43530146) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is (4-methyl-2-phenylsulfanylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-methyl-2-phenylsulfanylcyclohexyl)methanamine
PubChem CID43530146
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name(4-methyl-2-phenylsulfanylcyclohexyl)methanamine
SMILESCC1CCC(CN)C(Sc2ccccc2)C1
InChIInChI=1S/C14H21NS/c1-11-7-8-12(10-15)14(9-11)16-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10,15H2,1H3
InChIKeyIQLSRUGGJGUCBY-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylsulfanylcyclohexyl)methanamine?
The IUPAC name of (4-methyl-2-phenylsulfanylcyclohexyl)methanamine (CID 43530146) is (4-methyl-2-phenylsulfanylcyclohexyl)methanamine.
What is the SMILES notation for (4-methyl-2-phenylsulfanylcyclohexyl)methanamine?
The canonical SMILES for (4-methyl-2-phenylsulfanylcyclohexyl)methanamine is CC1CCC(CN)C(Sc2ccccc2)C1.
What is the InChIKey of (4-methyl-2-phenylsulfanylcyclohexyl)methanamine?
The InChIKey is IQLSRUGGJGUCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11-7-8-12(10-15)14(9-11)16-13-5-3-2-4-6-13/h2-6,11-12,14H,7-10,15H2,1H3.
What are the key properties of (4-methyl-2-phenylsulfanylcyclohexyl)methanamine?
(4-methyl-2-phenylsulfanylcyclohexyl)methanamine has a molecular weight of 235.40 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenylsulfanylcyclohexyl)methanamine is sourced from PubChem (CID 43530146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).