2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol

C15H23NO3S — CID 100666033

IUPAC2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol
SMILESCCS(=O)(=O)c1ccccc1N[C@@H]1CCC[C@H]1CCO
InChIInChI=1S/C15H23NO3S/c1-2-20(18,19)15-9-4-3-7-14(15)16-13-8-5-6-12(13)10-11-17/h3-4,7,9,12-13,16-17H,2,5-6,8,10-11H2,1H3/t12-,13+/m0/s1
InChIKeyWKYMCRGXBOHPJB-QWHCGFSZSA-N
MW297.42 g/mol
LogP2.44
Rot. Bonds6

About 2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol

2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol (PubChem CID 100666033) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol
PubChem CID100666033
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol
SMILESCCS(=O)(=O)c1ccccc1N[C@@H]1CCC[C@H]1CCO
InChIInChI=1S/C15H23NO3S/c1-2-20(18,19)15-9-4-3-7-14(15)16-13-8-5-6-12(13)10-11-17/h3-4,7,9,12-13,16-17H,2,5-6,8,10-11H2,1H3/t12-,13+/m0/s1
InChIKeyWKYMCRGXBOHPJB-QWHCGFSZSA-N
XLogP2.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-propylsulfonylanilino)cyclohexyl]methanol
CID 106362332
2-[[2-(hydroxymethyl)cyclopentyl]amino]-N-methylbenzenesulfonamide
CID 106362109
N-(2-ethylcyclohexyl)-2-propylsulfonylaniline
CID 61470216
N-(2-ethylsulfonylphenyl)-2-methylthian-3-amine
CID 79957215
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline
CID 107419404
2-ethylsulfonyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662154
cis-(1S,3R)-3-N-(2-ethylsulfonylphenyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 99858148
N-(2-ethylsulfonylphenyl)oxan-4-amine
CID 43610395
2-[2-(3-ethoxy-2-nitroanilino)cyclopentyl]ethanol
CID 133496156
2-[2-(4-methylsulfonyl-2-nitroanilino)cyclopentyl]ethanol
CID 133496144
N-(3-ethylcyclopentyl)-2-ethylsulfonylaniline
CID 64500030

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol?
The IUPAC name of 2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol (CID 100666033) is 2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol.
What is the SMILES notation for 2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol?
The canonical SMILES for 2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol is CCS(=O)(=O)c1ccccc1N[C@@H]1CCC[C@H]1CCO.
What is the InChIKey of 2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol?
The InChIKey is WKYMCRGXBOHPJB-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-2-20(18,19)15-9-4-3-7-14(15)16-13-8-5-6-12(13)10-11-17/h3-4,7,9,12-13,16-17H,2,5-6,8,10-11H2,1H3/t12-,13+/m0/s1.
What are the key properties of 2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol?
2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol has a molecular weight of 297.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-(2-ethylsulfonylanilino)cyclopentyl]ethanol is sourced from PubChem (CID 100666033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).