1-methylsulfonyl-2,6-dihydropyridine

C6H9NO2S — CID 88974861

IUPAC1-methylsulfonyl-2,6-dihydropyridine
SMILESCS(=O)(=O)N1CC=C=CC1
InChIInChI=1S/C6H9NO2S/c1-10(8,9)7-5-3-2-4-6-7/h3-4H,5-6H2,1H3
InChIKeyMCYIIWVXUMTARX-UHFFFAOYSA-N
MW159.21 g/mol
LogP-0.03
Rot. Bonds1

About 1-methylsulfonyl-2,6-dihydropyridine

1-methylsulfonyl-2,6-dihydropyridine (PubChem CID 88974861) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 1-methylsulfonyl-2,6-dihydropyridine.

Molecular Properties

Compound Name1-methylsulfonyl-2,6-dihydropyridine
PubChem CID88974861
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name1-methylsulfonyl-2,6-dihydropyridine
SMILESCS(=O)(=O)N1CC=C=CC1
InChIInChI=1S/C6H9NO2S/c1-10(8,9)7-5-3-2-4-6-7/h3-4H,5-6H2,1H3
InChIKeyMCYIIWVXUMTARX-UHFFFAOYSA-N
XLogP-0.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-2,6-dihydropyridine?
The IUPAC name of 1-methylsulfonyl-2,6-dihydropyridine (CID 88974861) is 1-methylsulfonyl-2,6-dihydropyridine.
What is the SMILES notation for 1-methylsulfonyl-2,6-dihydropyridine?
The canonical SMILES for 1-methylsulfonyl-2,6-dihydropyridine is CS(=O)(=O)N1CC=C=CC1.
What is the InChIKey of 1-methylsulfonyl-2,6-dihydropyridine?
The InChIKey is MCYIIWVXUMTARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-10(8,9)7-5-3-2-4-6-7/h3-4H,5-6H2,1H3.
What are the key properties of 1-methylsulfonyl-2,6-dihydropyridine?
1-methylsulfonyl-2,6-dihydropyridine has a molecular weight of 159.21 g/mol, XLogP of -0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2,6-dihydropyridine is sourced from PubChem (CID 88974861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).