(2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine

C15H23NS — CID 10800635

IUPAC(2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine
SMILESN[C@H](CSc1ccccc1)CC1CCCCC1
InChIInChI=1S/C15H23NS/c16-14(11-13-7-3-1-4-8-13)12-17-15-9-5-2-6-10-15/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12,16H2/t14-/m0/s1
InChIKeyAJTJAECGIZRDMC-AWEZNQCLSA-N
MW249.42 g/mol
LogP4.08
Rot. Bonds5

About (2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine

(2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine (PubChem CID 10800635) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is (2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine
PubChem CID10800635
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name(2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine
SMILESN[C@H](CSc1ccccc1)CC1CCCCC1
InChIInChI=1S/C15H23NS/c16-14(11-13-7-3-1-4-8-13)12-17-15-9-5-2-6-10-15/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12,16H2/t14-/m0/s1
InChIKeyAJTJAECGIZRDMC-AWEZNQCLSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-Methylsulfanylphenyl)butan-2-amine
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2-Amino-1-(4-ethylthiophenyl)propane
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(S)-2-amino-1-(4-methylthiophenyl)-propane
CID 44424446
(S)-2-amino-1-(4-ethylthiophenyl)-propane
CID 44424447
(S)-2-amino-1-(4-propylthiophenyl)-propane
CID 44424448
1-Methyl-2-(4-phenylsulfanyl-phenyl)-ethylamine
CID 44613329
2-N-Methylamino-1-(4-ethylthiophenyl)propane
CID 44613451
1-(4-Benzylsulfanyl-phenyl)-propylamine
CID 46882993
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CID 44613455

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine?
The IUPAC name of (2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine (CID 10800635) is (2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine.
What is the SMILES notation for (2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine?
The canonical SMILES for (2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine is N[C@H](CSc1ccccc1)CC1CCCCC1.
What is the InChIKey of (2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine?
The InChIKey is AJTJAECGIZRDMC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NS/c16-14(11-13-7-3-1-4-8-13)12-17-15-9-5-2-6-10-15/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12,16H2/t14-/m0/s1.
What are the key properties of (2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine?
(2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-amine is sourced from PubChem (CID 10800635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).