(1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol

C15H23NOS — CID 100859471

IUPAC(1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol
SMILESCS[C@@H]1CC[C@H](N(C)C[C@@H](O)c2ccccc2)C1
InChIInChI=1S/C15H23NOS/c1-16(13-8-9-14(10-13)18-2)11-15(17)12-6-4-3-5-7-12/h3-7,13-15,17H,8-11H2,1-2H3/t13-,14+,15+/m0/s1
InChIKeyOSWISLHGYOIZBU-RRFJBIMHSA-N
MW265.42 g/mol
LogP2.94
Rot. Bonds5

About (1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol

(1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol (PubChem CID 100859471) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is (1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol
PubChem CID100859471
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name(1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol
SMILESCS[C@@H]1CC[C@H](N(C)C[C@@H](O)c2ccccc2)C1
InChIInChI=1S/C15H23NOS/c1-16(13-8-9-14(10-13)18-2)11-15(17)12-6-4-3-5-7-12/h3-7,13-15,17H,8-11H2,1-2H3/t13-,14+,15+/m0/s1
InChIKeyOSWISLHGYOIZBU-RRFJBIMHSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol
CID 100859470
(1R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-methylamino]-1-phenylethanol
CID 125183065
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
CID 111107133
2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
2-(dicyclohexylamino)-1-phenylethanol
CID 10946557
2-[butyl(cyclopropyl)amino]-1-phenylethanol
CID 60751435
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
2-[benzhydryl(methyl)amino]-1-phenylethanol
CID 3505407
(1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol
CID 7074499
trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 99106803
(1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol
CID 97069243

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol?
The IUPAC name of (1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol (CID 100859471) is (1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol?
The canonical SMILES for (1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol is CS[C@@H]1CC[C@H](N(C)C[C@@H](O)c2ccccc2)C1.
What is the InChIKey of (1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol?
The InChIKey is OSWISLHGYOIZBU-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H23NOS/c1-16(13-8-9-14(10-13)18-2)11-15(17)12-6-4-3-5-7-12/h3-7,13-15,17H,8-11H2,1-2H3/t13-,14+,15+/m0/s1.
What are the key properties of (1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol?
(1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol has a molecular weight of 265.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[methyl-[(1S,3R)-3-methylsulfanylcyclopentyl]amino]-1-phenylethanol is sourced from PubChem (CID 100859471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).