3-methyl-6-methylsulfonyl-1,2-dihydropyridine

C7H11NO2S — CID 167284431

IUPAC3-methyl-6-methylsulfonyl-1,2-dihydropyridine
SMILESCC1=CC=C(S(C)(=O)=O)NC1
InChIInChI=1S/C7H11NO2S/c1-6-3-4-7(8-5-6)11(2,9)10/h3-4,8H,5H2,1-2H3
InChIKeyDIINDWQHPCULQC-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.42
Rot. Bonds1

About 3-methyl-6-methylsulfonyl-1,2-dihydropyridine

3-methyl-6-methylsulfonyl-1,2-dihydropyridine (PubChem CID 167284431) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-methyl-6-methylsulfonyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-methyl-6-methylsulfonyl-1,2-dihydropyridine
PubChem CID167284431
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name3-methyl-6-methylsulfonyl-1,2-dihydropyridine
SMILESCC1=CC=C(S(C)(=O)=O)NC1
InChIInChI=1S/C7H11NO2S/c1-6-3-4-7(8-5-6)11(2,9)10/h3-4,8H,5H2,1-2H3
InChIKeyDIINDWQHPCULQC-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylsulfonyl-1,2-dihydropyridine?
The IUPAC name of 3-methyl-6-methylsulfonyl-1,2-dihydropyridine (CID 167284431) is 3-methyl-6-methylsulfonyl-1,2-dihydropyridine.
What is the SMILES notation for 3-methyl-6-methylsulfonyl-1,2-dihydropyridine?
The canonical SMILES for 3-methyl-6-methylsulfonyl-1,2-dihydropyridine is CC1=CC=C(S(C)(=O)=O)NC1.
What is the InChIKey of 3-methyl-6-methylsulfonyl-1,2-dihydropyridine?
The InChIKey is DIINDWQHPCULQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-6-3-4-7(8-5-6)11(2,9)10/h3-4,8H,5H2,1-2H3.
What are the key properties of 3-methyl-6-methylsulfonyl-1,2-dihydropyridine?
3-methyl-6-methylsulfonyl-1,2-dihydropyridine has a molecular weight of 173.24 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylsulfonyl-1,2-dihydropyridine is sourced from PubChem (CID 167284431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).