1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine

C14H21NS — CID 66349185

IUPAC1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1cccc(SC2CCCCC2)c1
InChIInChI=1S/C14H21NS/c1-15-11-12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3
InChIKeyNEYGDTJRWRNFCN-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.83
Rot. Bonds4

About 1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine

1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine (PubChem CID 66349185) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine
PubChem CID66349185
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1cccc(SC2CCCCC2)c1
InChIInChI=1S/C14H21NS/c1-15-11-12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3
InChIKeyNEYGDTJRWRNFCN-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine (CID 66349185) is 1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine is CNCc1cccc(SC2CCCCC2)c1.
What is the InChIKey of 1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine?
The InChIKey is NEYGDTJRWRNFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-15-11-12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h5-6,9-10,13,15H,2-4,7-8,11H2,1H3.
What are the key properties of 1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine?
1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine has a molecular weight of 235.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexylsulfanylphenyl)-N-methylmethanamine is sourced from PubChem (CID 66349185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).