methylsulfonylcyclopentane

C6H12O2S — CID 14022406

IUPACmethylsulfonylcyclopentane
SMILESCS(=O)(=O)C1CCCC1
InChIInChI=1S/C6H12O2S/c1-9(7,8)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeySTEFDMBZXJZSGP-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.97
Rot. Bonds1

About methylsulfonylcyclopentane

methylsulfonylcyclopentane (PubChem CID 14022406) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is methylsulfonylcyclopentane.

Molecular Properties

Compound Namemethylsulfonylcyclopentane
PubChem CID14022406
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Namemethylsulfonylcyclopentane
SMILESCS(=O)(=O)C1CCCC1
InChIInChI=1S/C6H12O2S/c1-9(7,8)6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeySTEFDMBZXJZSGP-UHFFFAOYSA-N
XLogP0.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Propyl sulfone
CID 11709
Methyl propyl sulfone
CID 121250
2-Methyltetrahydrothiophene 1,1-dioxide
CID 549931
Butyl ethyl sulfone
CID 520509
Butane, 1-(methylsulfonyl)-
CID 139046
2-(Methylsulphonyl)propane
CID 138372
(Ethenesulfonyl)cyclopentane
CID 63114610
Ethyl n-propyl sulfone
CID 520507
2-Ethyltetrahydrothiophene 1,1-dioxide
CID 544727
Cyclopentyl methyl sulfoxide
CID 23631127
(2R,5R)-2,5-dimethylthiolane 1,1-dioxide
CID 12385612
1-(Methanesulfonyl)pentane
CID 13525649

Frequently Asked Questions

What is the IUPAC name of methylsulfonylcyclopentane?
The IUPAC name of methylsulfonylcyclopentane (CID 14022406) is methylsulfonylcyclopentane.
What is the SMILES notation for methylsulfonylcyclopentane?
The canonical SMILES for methylsulfonylcyclopentane is CS(=O)(=O)C1CCCC1.
What is the InChIKey of methylsulfonylcyclopentane?
The InChIKey is STEFDMBZXJZSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S/c1-9(7,8)6-4-2-3-5-6/h6H,2-5H2,1H3.
What are the key properties of methylsulfonylcyclopentane?
methylsulfonylcyclopentane has a molecular weight of 148.23 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonylcyclopentane is sourced from PubChem (CID 14022406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).