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

C9H18O3S — CID 99978426

IUPAC[(1S,2R,4S)-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+/m1/s1
InChIKeyJFZOIXHEYHHHHN-HLTSFMKQSA-N
MW206.31 g/mol
LogP0.83
Rot. Bonds3

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

[(1S,2R,4S)-4-ethylsulfonyl-2-methylcyclopentyl]methanol (PubChem CID 99978426) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is [(1S,2R,4S)-4-ethylsulfonyl-2-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R,4S)-4-ethylsulfonyl-2-methylcyclopentyl]methanol
PubChem CID99978426
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name[(1S,2R,4S)-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+/m1/s1
InChIKeyJFZOIXHEYHHHHN-HLTSFMKQSA-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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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4S)-4-ethylsulfonyl-2-methylcyclopentyl]methanol?
The IUPAC name of [(1S,2R,4S)-4-ethylsulfonyl-2-methylcyclopentyl]methanol (CID 99978426) is [(1S,2R,4S)-4-ethylsulfonyl-2-methylcyclopentyl]methanol.
What is the SMILES notation for [(1S,2R,4S)-4-ethylsulfonyl-2-methylcyclopentyl]methanol?
The canonical SMILES for [(1S,2R,4S)-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,2R,4S)-4-ethylsulfonyl-2-methylcyclopentyl]methanol?
The InChIKey is JFZOIXHEYHHHHN-HLTSFMKQSA-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+/m1/s1.
What are the key properties of [(1S,2R,4S)-4-ethylsulfonyl-2-methylcyclopentyl]methanol?
[(1S,2R,4S)-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,2R,4S)-4-ethylsulfonyl-2-methylcyclopentyl]methanol is sourced from PubChem (CID 99978426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).