(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol

C14H21NO3S — CID 103913967

IUPAC(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol
SMILESCS(=O)(=O)C1CCCC1N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-19(17,18)14-9-5-8-12(14)15-13(10-16)11-6-3-2-4-7-11/h2-4,6-7,12-16H,5,8-10H2,1H3/t12?,13-,14?/m1/s1
InChIKeyIJULHMDQMXZNRW-ROKHWSDSSA-N
MW283.39 g/mol
LogP1.28
Rot. Bonds5

About (2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol

(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol (PubChem CID 103913967) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol
PubChem CID103913967
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol
SMILESCS(=O)(=O)C1CCCC1N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-19(17,18)14-9-5-8-12(14)15-13(10-16)11-6-3-2-4-7-11/h2-4,6-7,12-16H,5,8-10H2,1H3/t12?,13-,14?/m1/s1
InChIKeyIJULHMDQMXZNRW-ROKHWSDSSA-N
XLogP1.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 65046271
N-(3-methyl-1-phenylbutyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044520
2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol
CID 63183129
(2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol
CID 114987227
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81365892
2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759908
(2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 107862308
[2-(1-phenylpropylamino)cyclohexyl]methanol
CID 113261894
N-[(1S)-1-(3-methylphenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81364185
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
2-[(2-hydroxy-1-phenylethyl)amino]cycloheptane-1-carbonitrile
CID 55159617
N-[(1S)-1-(3-bromophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 81381610

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol (CID 103913967) is (2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol is CS(=O)(=O)C1CCCC1N[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol?
The InChIKey is IJULHMDQMXZNRW-ROKHWSDSSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-19(17,18)14-9-5-8-12(14)15-13(10-16)11-6-3-2-4-7-11/h2-4,6-7,12-16H,5,8-10H2,1H3/t12?,13-,14?/m1/s1.
What are the key properties of (2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol?
(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol has a molecular weight of 283.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol is sourced from PubChem (CID 103913967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).