[(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol

C8H16O4S — CID 99997590

IUPAC[(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol
SMILESCS(=O)(=O)[C@H]1CCC(CO)(CO)C1
InChIInChI=1S/C8H16O4S/c1-13(11,12)7-2-3-8(4-7,5-9)6-10/h7,9-10H,2-6H2,1H3/t7-/m0/s1
InChIKeyPEQFZIBIQAUMRM-ZETCQYMHSA-N
MW208.28 g/mol
LogP-0.45
Rot. Bonds3

About [(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol

[(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol (PubChem CID 99997590) has the molecular formula C8H16O4S and a molecular weight of 208.28 g/mol. Its IUPAC name is [(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol.

Molecular Properties

Compound Name[(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol
PubChem CID99997590
Molecular FormulaC8H16O4S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name[(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol
SMILESCS(=O)(=O)[C@H]1CCC(CO)(CO)C1
InChIInChI=1S/C8H16O4S/c1-13(11,12)7-2-3-8(4-7,5-9)6-10/h7,9-10H,2-6H2,1H3/t7-/m0/s1
InChIKeyPEQFZIBIQAUMRM-ZETCQYMHSA-N
XLogP-0.45
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol
CID 99997499
cis-(1S,3R)-1-(hydroxymethyl)-3-methylsulfonylcyclopentane-1-carbonitrile
CID 99997356
cis-(1R,3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentane-1-carbonitrile
CID 99997353
cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine
CID 99997527
1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride
CID 146279083
[(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine
CID 99997968
1-(2,2-dimethyl-4-methylsulfonylpiperidin-1-yl)ethanethiol
CID 167239749
4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol
CID 158001531
4-methylsulfonyl-1-prop-2-enylcyclohexan-1-ol
CID 118435755
cis-(1S,3R)-1-(methoxymethyl)-3-methylsulfonylcyclopentane-1-carbonitrile
CID 99997407
(1R,2R,4S)-1-(hydroxymethyl)-2-methyl-4-methylsulfonylcyclopentane-1-carbonitrile
CID 124675371
2,2-dimethyl-4-methylsulfonylpiperidine
CID 118615851

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol?
The IUPAC name of [(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol (CID 99997590) is [(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol.
What is the SMILES notation for [(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol?
The canonical SMILES for [(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol is CS(=O)(=O)[C@H]1CCC(CO)(CO)C1.
What is the InChIKey of [(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol?
The InChIKey is PEQFZIBIQAUMRM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16O4S/c1-13(11,12)7-2-3-8(4-7,5-9)6-10/h7,9-10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of [(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol?
[(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol has a molecular weight of 208.28 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol is sourced from PubChem (CID 99997590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).