3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine

C16H25NS — CID 62778890

IUPAC3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine
SMILESCC1CCCC(SC(CCN)c2ccccc2)C1
InChIInChI=1S/C16H25NS/c1-13-6-5-9-15(12-13)18-16(10-11-17)14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12,17H2,1H3
InChIKeyNNTGUSNCDZWHKL-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.39
Rot. Bonds5

About 3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine

3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine (PubChem CID 62778890) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine
PubChem CID62778890
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine
SMILESCC1CCCC(SC(CCN)c2ccccc2)C1
InChIInChI=1S/C16H25NS/c1-13-6-5-9-15(12-13)18-16(10-11-17)14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12,17H2,1H3
InChIKeyNNTGUSNCDZWHKL-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylcyclohexyl)sulfanyl-2-phenylethanamine
CID 62721341
2-(3-methylcyclohexyl)sulfanyl-2-thiophen-2-ylethanamine
CID 62721715
[2-chloro-6-(3-methylcyclohexyl)sulfanylphenyl]methanamine
CID 62720819
1-(3-methylcyclohexyl)sulfanyl-1-(4-methylphenyl)propan-2-amine
CID 63537922
1-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfanylethanol
CID 55111272
1-(4-fluorophenyl)-1-(3-methylcyclohexyl)sulfanylpropan-2-amine
CID 55111836
1-amino-4-(3-methylcyclohexyl)sulfanyl-2-phenylbutan-2-ol
CID 116696101
2-(3-methylcyclohexyl)sulfanylbenzoic acid
CID 62721517
N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine
CID 144897282
1-[2-(3-methylcyclohexyl)sulfanyl-3-pyridinyl]propan-2-amine
CID 114057632
N-benzyl-2-(3-methylcyclohexyl)sulfanylethanamine
CID 62720496
2-methyl-6-(3-methylcyclohexyl)sulfanylaniline
CID 79147333

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine (CID 62778890) is 3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine is CC1CCCC(SC(CCN)c2ccccc2)C1.
What is the InChIKey of 3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine?
The InChIKey is NNTGUSNCDZWHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-13-6-5-9-15(12-13)18-16(10-11-17)14-7-3-2-4-8-14/h2-4,7-8,13,15-16H,5-6,9-12,17H2,1H3.
What are the key properties of 3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine?
3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine has a molecular weight of 263.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)sulfanyl-3-phenylpropan-1-amine is sourced from PubChem (CID 62778890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).