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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Related Compounds

2-[1-[(3-methylsulfanylcyclohexyl)amino]propyl]phenol
CID 104924871
ethyl 2-[(3-methylsulfanylcyclohexyl)amino]-2-phenylacetate
CID 103952054
N-[1-(4-bromophenyl)propyl]-3-methylsulfanylcyclopentan-1-amine
CID 114122786
3-methylsulfonyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 79002828
4-ethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 55194080
N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 43206638
N-(1-phenylpropyl)oxetan-3-amine
CID 63624948
N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122278
tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate
CID 103719879
N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 43079693
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155

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).