cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol

C15H23NOS — CID 99718092

IUPACcis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol
SMILESCSC[C@H](N[C@@H]1CCCC[C@@H]1O)c1ccccc1
InChIInChI=1S/C15H23NOS/c1-18-11-14(12-7-3-2-4-8-12)16-13-9-5-6-10-15(13)17/h2-4,7-8,13-17H,5-6,9-11H2,1H3/t13-,14+,15+/m1/s1
InChIKeyAAZMJNHTSXNLAW-ILXRZTDVSA-N
MW265.42 g/mol
LogP2.98
Rot. Bonds5

About cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol

cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol (PubChem CID 99718092) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol
PubChem CID99718092
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Namecis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol
SMILESCSC[C@H](N[C@@H]1CCCC[C@@H]1O)c1ccccc1
InChIInChI=1S/C15H23NOS/c1-18-11-14(12-7-3-2-4-8-12)16-13-9-5-6-10-15(13)17/h2-4,7-8,13-17H,5-6,9-11H2,1H3/t13-,14+,15+/m1/s1
InChIKeyAAZMJNHTSXNLAW-ILXRZTDVSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol
CID 63183129
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol
CID 102733078
N-(2-methylsulfanyl-1-phenylethyl)cyclopent-3-en-1-amine
CID 115728537
[2-(1-phenylpropylamino)cyclohexyl]methanol
CID 113261894
2-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 62365100
2-[[(1R,2R)-2-amino-1,2-diphenylethyl]amino]cyclononan-1-ol
CID 53234756
2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid
CID 55036450
2-[1-(4-fluorophenyl)pentylamino]cyclohexan-1-ol
CID 62365971
2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759908
(2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 107862308

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol (CID 99718092) is cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol is CSC[C@H](N[C@@H]1CCCC[C@@H]1O)c1ccccc1.
What is the InChIKey of cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol?
The InChIKey is AAZMJNHTSXNLAW-ILXRZTDVSA-N. The full InChI is InChI=1S/C15H23NOS/c1-18-11-14(12-7-3-2-4-8-12)16-13-9-5-6-10-15(13)17/h2-4,7-8,13-17H,5-6,9-11H2,1H3/t13-,14+,15+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol?
cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol has a molecular weight of 265.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 99718092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).