3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one

C10H16O2S — CID 106495095

IUPAC3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one
SMILESO=C1CCC(SCC2CCCO2)C1
InChIInChI=1S/C10H16O2S/c11-8-3-4-10(6-8)13-7-9-2-1-5-12-9/h9-10H,1-7H2
InChIKeyQDAQQSIHAQLPHP-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.02
Rot. Bonds3

About 3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one

3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one (PubChem CID 106495095) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one
PubChem CID106495095
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one
SMILESO=C1CCC(SCC2CCCO2)C1
InChIInChI=1S/C10H16O2S/c11-8-3-4-10(6-8)13-7-9-2-1-5-12-9/h9-10H,1-7H2
InChIKeyQDAQQSIHAQLPHP-UHFFFAOYSA-N
XLogP2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxolan-2-ylmethoxy)cyclopentan-1-one
CID 79643554
3-[3-(oxolan-2-yl)propyl]cyclopentan-1-one
CID 65165417
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
3-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-one
CID 106497199
3-(oxan-2-ylmethoxy)cyclohexan-1-one
CID 79618470
[1-amino-3-(oxolan-2-ylmethylsulfanyl)cyclopentyl]methanol
CID 106497567
tert-butyl (3R,4R)-3-hydroxy-4-(oxolan-2-ylmethylsulfanyl)pyrrolidine-1-carboxylate
CID 126847601
4-(oxolan-2-ylmethylsulfanyl)aniline
CID 43299447
3-(oxolan-2-ylmethylsulfanyl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 106495654
2-(ethenylsulfanylmethyl)oxolane
CID 19076165
(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143
1-(methylamino)-3-(oxolan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide
CID 106495653

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one?
The IUPAC name of 3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one (CID 106495095) is 3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one.
What is the SMILES notation for 3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one?
The canonical SMILES for 3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one is O=C1CCC(SCC2CCCO2)C1.
What is the InChIKey of 3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one?
The InChIKey is QDAQQSIHAQLPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c11-8-3-4-10(6-8)13-7-9-2-1-5-12-9/h9-10H,1-7H2.
What are the key properties of 3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one?
3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one has a molecular weight of 200.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylsulfanyl)cyclopentan-1-one is sourced from PubChem (CID 106495095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).