3-methyl-2-prop-2-enylsulfonylpyridine

C9H11NO2S — CID 155896925

IUPAC3-methyl-2-prop-2-enylsulfonylpyridine
SMILESC=CCS(=O)(=O)c1ncccc1C
InChIInChI=1S/C9H11NO2S/c1-3-7-13(11,12)9-8(2)5-4-6-10-9/h3-6H,1,7H2,2H3
InChIKeyKPWRHNSVLHLHOR-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.35
Rot. Bonds3

About 3-methyl-2-prop-2-enylsulfonylpyridine

3-methyl-2-prop-2-enylsulfonylpyridine (PubChem CID 155896925) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-methyl-2-prop-2-enylsulfonylpyridine.

Molecular Properties

Compound Name3-methyl-2-prop-2-enylsulfonylpyridine
PubChem CID155896925
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name3-methyl-2-prop-2-enylsulfonylpyridine
SMILESC=CCS(=O)(=O)c1ncccc1C
InChIInChI=1S/C9H11NO2S/c1-3-7-13(11,12)9-8(2)5-4-6-10-9/h3-6H,1,7H2,2H3
InChIKeyKPWRHNSVLHLHOR-UHFFFAOYSA-N
XLogP1.35
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-prop-2-enylsulfonylpyridine?
The IUPAC name of 3-methyl-2-prop-2-enylsulfonylpyridine (CID 155896925) is 3-methyl-2-prop-2-enylsulfonylpyridine.
What is the SMILES notation for 3-methyl-2-prop-2-enylsulfonylpyridine?
The canonical SMILES for 3-methyl-2-prop-2-enylsulfonylpyridine is C=CCS(=O)(=O)c1ncccc1C.
What is the InChIKey of 3-methyl-2-prop-2-enylsulfonylpyridine?
The InChIKey is KPWRHNSVLHLHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-3-7-13(11,12)9-8(2)5-4-6-10-9/h3-6H,1,7H2,2H3.
What are the key properties of 3-methyl-2-prop-2-enylsulfonylpyridine?
3-methyl-2-prop-2-enylsulfonylpyridine has a molecular weight of 197.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-prop-2-enylsulfonylpyridine is sourced from PubChem (CID 155896925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).