1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine

C16H25NS — CID 113384763

IUPAC1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(SC2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H25NS/c1-12-8-13(2)10-16(9-12)18-15-6-4-14(5-7-15)11-17-3/h4-7,12-13,16-17H,8-11H2,1-3H3
InChIKeyANMCWPONJNOWAK-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.32
Rot. Bonds4

About 1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine

1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine (PubChem CID 113384763) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine
PubChem CID113384763
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(SC2CC(C)CC(C)C2)cc1
InChIInChI=1S/C16H25NS/c1-12-8-13(2)10-16(9-12)18-15-6-4-14(5-7-15)11-17-3/h4-7,12-13,16-17H,8-11H2,1-3H3
InChIKeyANMCWPONJNOWAK-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine (CID 113384763) is 1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine is CNCc1ccc(SC2CC(C)CC(C)C2)cc1.
What is the InChIKey of 1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine?
The InChIKey is ANMCWPONJNOWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-12-8-13(2)10-16(9-12)18-15-6-4-14(5-7-15)11-17-3/h4-7,12-13,16-17H,8-11H2,1-3H3.
What are the key properties of 1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine?
1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine has a molecular weight of 263.45 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylcyclohexyl)sulfanylphenyl]-N-methylmethanamine is sourced from PubChem (CID 113384763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).