3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine

C16H25NS — CID 103784503

IUPAC3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine
SMILESCCC(NC1CCCC(SC)C1)c1ccccc1
InChIInChI=1S/C16H25NS/c1-3-16(13-8-5-4-6-9-13)17-14-10-7-11-15(12-14)18-2/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3
InChIKeyQREXYXCSELXFKD-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.40
Rot. Bonds5

About 3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine

3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine (PubChem CID 103784503) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine
PubChem CID103784503
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine
SMILESCCC(NC1CCCC(SC)C1)c1ccccc1
InChIInChI=1S/C16H25NS/c1-3-16(13-8-5-4-6-9-13)17-14-10-7-11-15(12-14)18-2/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3
InChIKeyQREXYXCSELXFKD-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine (CID 103784503) is 3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine is CCC(NC1CCCC(SC)C1)c1ccccc1.
What is the InChIKey of 3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine?
The InChIKey is QREXYXCSELXFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-3-16(13-8-5-4-6-9-13)17-14-10-7-11-15(12-14)18-2/h4-6,8-9,14-17H,3,7,10-12H2,1-2H3.
What are the key properties of 3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine?
3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(1-phenylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 103784503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).