1-methylsulfonylcyclopentene

C6H10O2S — CID 10931576

IUPAC1-methylsulfonylcyclopentene
SMILESCS(=O)(=O)C1=CCCC1
InChIInChI=1S/C6H10O2S/c1-9(7,8)6-4-2-3-5-6/h4H,2-3,5H2,1H3
InChIKeyDTLYXOCOYAQKTC-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.10
Rot. Bonds1

About 1-methylsulfonylcyclopentene

1-methylsulfonylcyclopentene (PubChem CID 10931576) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 1-methylsulfonylcyclopentene.

Molecular Properties

Compound Name1-methylsulfonylcyclopentene
PubChem CID10931576
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name1-methylsulfonylcyclopentene
SMILESCS(=O)(=O)C1=CCCC1
InChIInChI=1S/C6H10O2S/c1-9(7,8)6-4-2-3-5-6/h4H,2-3,5H2,1H3
InChIKeyDTLYXOCOYAQKTC-UHFFFAOYSA-N
XLogP1.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylcyclopentene?
The IUPAC name of 1-methylsulfonylcyclopentene (CID 10931576) is 1-methylsulfonylcyclopentene.
What is the SMILES notation for 1-methylsulfonylcyclopentene?
The canonical SMILES for 1-methylsulfonylcyclopentene is CS(=O)(=O)C1=CCCC1.
What is the InChIKey of 1-methylsulfonylcyclopentene?
The InChIKey is DTLYXOCOYAQKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-9(7,8)6-4-2-3-5-6/h4H,2-3,5H2,1H3.
What are the key properties of 1-methylsulfonylcyclopentene?
1-methylsulfonylcyclopentene has a molecular weight of 146.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylcyclopentene is sourced from PubChem (CID 10931576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).