[(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol

C9H18O3S — CID 99111079

IUPAC[(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol
SMILESCCS(=O)(=O)[C@H]1C[C@H](CO)[C@@H](C)C1
InChIInChI=1S/C9H18O3S/c1-3-13(11,12)9-4-7(2)8(5-9)6-10/h7-10H,3-6H2,1-2H3/t7-,8+,9+/m0/s1
InChIKeyJFZOIXHEYHHHHN-DJLDLDEBSA-N
MW206.31 g/mol
LogP0.83
Rot. Bonds3

About [(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol

[(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol (PubChem CID 99111079) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is [(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol
PubChem CID99111079
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name[(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol
SMILESCCS(=O)(=O)[C@H]1C[C@H](CO)[C@@H](C)C1
InChIInChI=1S/C9H18O3S/c1-3-13(11,12)9-4-7(2)8(5-9)6-10/h7-10H,3-6H2,1-2H3/t7-,8+,9+/m0/s1
InChIKeyJFZOIXHEYHHHHN-DJLDLDEBSA-N
XLogP0.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-Methylpropylsulfonyl)cyclohexyl]methanol
CID 58814953
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CID 70672788
(1-Ethylsulfonylcyclohexyl)methanol
CID 70673023
3-(1,1-Dioxothian-3-yl)propan-1-ol
CID 91371000
(3R)-1,1-dioxo-4-undecan-6-ylthiolan-3-ol
CID 126657349
(3aS,6aR)-5-methylsulfonyl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol
CID 141526298
(1S)-1-cyclopentyl-2-methylsulfonylethanol
CID 160332200
(1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane
CID 160569820
(1S)-2-tert-butylsulfonyl-1-cyclopentylethanol
CID 164968178
(2-Tert-butylsulfonylcyclohexyl)methanol
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(1R)-1-cyclopentyl-2-propan-2-ylsulfonylethanol
CID 167557282

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol?
The IUPAC name of [(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol (CID 99111079) is [(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol.
What is the SMILES notation for [(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol?
The canonical SMILES for [(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol is CCS(=O)(=O)[C@H]1C[C@H](CO)[C@@H](C)C1.
What is the InChIKey of [(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol?
The InChIKey is JFZOIXHEYHHHHN-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H18O3S/c1-3-13(11,12)9-4-7(2)8(5-9)6-10/h7-10H,3-6H2,1-2H3/t7-,8+,9+/m0/s1.
What are the key properties of [(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol?
[(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol has a molecular weight of 206.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4R)-4-ethylsulfonyl-2-methylcyclopentyl]methanol is sourced from PubChem (CID 99111079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).