cyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane

C6H14O3S — CID 151674661

IUPACcyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane
SMILESCS(=O)(O)(O)C1CCCC1
InChIInChI=1S/C6H14O3S/c1-10(7,8,9)6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,7,8,9)
InChIKeyQZGPXIBKFRTGSN-UHFFFAOYSA-N
MW166.24 g/mol
LogP1.32
Rot. Bonds1

About cyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane

cyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane (PubChem CID 151674661) has the molecular formula C6H14O3S and a molecular weight of 166.24 g/mol. Its IUPAC name is cyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Namecyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane
PubChem CID151674661
Molecular FormulaC6H14O3S
Molecular Weight166.24 g/mol
Exact Mass166.07
IUPAC Namecyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane
SMILESCS(=O)(O)(O)C1CCCC1
InChIInChI=1S/C6H14O3S/c1-10(7,8,9)6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,7,8,9)
InChIKeyQZGPXIBKFRTGSN-UHFFFAOYSA-N
XLogP1.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane
CID 66796066
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
cycloundecane-1,2-diol
CID 67185134
(ethyl-dimethyl-oxo-λ6-sulfanyl) cyclohexanecarboxylate
CID 141238095
acetic acid;cyclohexylcyclohexane
CID 67293698
3-cycloheptylbut-3-en-2-one
CID 89298761
1-cyclohexylcyclohexa-2,4-dien-1-ol;propan-2-one
CID 161232949
cyclohexanol;methanol
CID 18353815
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
(amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane
CID 20659465
cyclohexanecarbaldehyde;ethane;methanol
CID 144911027
acetic acid;cyclohexanol
CID 19963759

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane?
The IUPAC name of cyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane (CID 151674661) is cyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane.
What is the SMILES notation for cyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane?
The canonical SMILES for cyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane is CS(=O)(O)(O)C1CCCC1.
What is the InChIKey of cyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane?
The InChIKey is QZGPXIBKFRTGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3S/c1-10(7,8,9)6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,7,8,9).
What are the key properties of cyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane?
cyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane has a molecular weight of 166.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-dihydroxy-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 151674661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).