6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide

C11H16N2O3S — CID 169269736

IUPAC6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide
SMILESCc1ccc(C(C)C)c(C(=O)NS(C)(=O)=O)n1
InChIInChI=1S/C11H16N2O3S/c1-7(2)9-6-5-8(3)12-10(9)11(14)13-17(4,15)16/h5-7H,1-4H3,(H,13,14)
InChIKeyKXNHQYHPLXKKMM-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.20
Rot. Bonds3

About 6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide

6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide (PubChem CID 169269736) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide
PubChem CID169269736
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide
SMILESCc1ccc(C(C)C)c(C(=O)NS(C)(=O)=O)n1
InChIInChI=1S/C11H16N2O3S/c1-7(2)9-6-5-8(3)12-10(9)11(14)13-17(4,15)16/h5-7H,1-4H3,(H,13,14)
InChIKeyKXNHQYHPLXKKMM-UHFFFAOYSA-N
XLogP1.20
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide (CID 169269736) is 6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide is Cc1ccc(C(C)C)c(C(=O)NS(C)(=O)=O)n1.
What is the InChIKey of 6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide?
The InChIKey is KXNHQYHPLXKKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(2)9-6-5-8(3)12-10(9)11(14)13-17(4,15)16/h5-7H,1-4H3,(H,13,14).
What are the key properties of 6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide?
6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-methylsulfonyl-3-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 169269736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).