(2-phenylsulfanyl-4-propylcyclohexyl)methanamine

C16H25NS — CID 43530144

IUPAC(2-phenylsulfanyl-4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(CN)C(Sc2ccccc2)C1
InChIInChI=1S/C16H25NS/c1-2-6-13-9-10-14(12-17)16(11-13)18-15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,2,6,9-12,17H2,1H3
InChIKeyHXUQEVLYKLDKOK-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.32
Rot. Bonds5

About (2-phenylsulfanyl-4-propylcyclohexyl)methanamine

(2-phenylsulfanyl-4-propylcyclohexyl)methanamine (PubChem CID 43530144) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is (2-phenylsulfanyl-4-propylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-phenylsulfanyl-4-propylcyclohexyl)methanamine
PubChem CID43530144
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name(2-phenylsulfanyl-4-propylcyclohexyl)methanamine
SMILESCCCC1CCC(CN)C(Sc2ccccc2)C1
InChIInChI=1S/C16H25NS/c1-2-6-13-9-10-14(12-17)16(11-13)18-15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,2,6,9-12,17H2,1H3
InChIKeyHXUQEVLYKLDKOK-UHFFFAOYSA-N
XLogP4.32
TPSA26.02 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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine
CID 43530264
[2-(2-methylphenyl)sulfanyl-4-propylcyclohexyl]methanamine
CID 63404568
(4-methyl-2-phenylsulfanylcyclohexyl)methanamine
CID 43530146
[2-(5-methylpyrimidin-2-yl)sulfanyl-4-propylcyclohexyl]methanamine
CID 61382815
(4-propyl-2-propylsulfanylcyclohexyl)methanamine
CID 43530082
[2-(3-chlorophenyl)sulfanyl-4-ethylcyclohexyl]methanamine
CID 63404764
(2-cyclopentylsulfanyl-4-propylcyclohexyl)methanamine
CID 63405084
[4-ethyl-2-(3-methoxyphenyl)sulfanylcyclohexyl]methanamine
CID 43530342
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-propylcyclohexyl]methanamine
CID 63404646
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
2-(3-methylphenyl)sulfanyl-4-propylcyclohexane-1-carboxylic acid
CID 63531338
[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine
CID 43293990

Frequently Asked Questions

What is the IUPAC name of (2-phenylsulfanyl-4-propylcyclohexyl)methanamine?
The IUPAC name of (2-phenylsulfanyl-4-propylcyclohexyl)methanamine (CID 43530144) is (2-phenylsulfanyl-4-propylcyclohexyl)methanamine.
What is the SMILES notation for (2-phenylsulfanyl-4-propylcyclohexyl)methanamine?
The canonical SMILES for (2-phenylsulfanyl-4-propylcyclohexyl)methanamine is CCCC1CCC(CN)C(Sc2ccccc2)C1.
What is the InChIKey of (2-phenylsulfanyl-4-propylcyclohexyl)methanamine?
The InChIKey is HXUQEVLYKLDKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-2-6-13-9-10-14(12-17)16(11-13)18-15-7-4-3-5-8-15/h3-5,7-8,13-14,16H,2,6,9-12,17H2,1H3.
What are the key properties of (2-phenylsulfanyl-4-propylcyclohexyl)methanamine?
(2-phenylsulfanyl-4-propylcyclohexyl)methanamine has a molecular weight of 263.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylsulfanyl-4-propylcyclohexyl)methanamine is sourced from PubChem (CID 43530144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).