3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide

C11H16N2O3S — CID 47212321

IUPAC3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C11H16N2O3S/c1-8(2)6-10(14)13-9-4-5-11(12-7-9)17(3,15)16/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyUJZMRZSUKZYAEA-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.47
Rot. Bonds4

About 3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide

3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide (PubChem CID 47212321) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
PubChem CID47212321
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C11H16N2O3S/c1-8(2)6-10(14)13-9-4-5-11(12-7-9)17(3,15)16/h4-5,7-8H,6H2,1-3H3,(H,13,14)
InChIKeyUJZMRZSUKZYAEA-UHFFFAOYSA-N
XLogP1.47
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 81075258
2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 43696835
(2R)-2-amino-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 78972498
5-hydroxy-N-(6-methylsulfonyl-3-pyridinyl)pentanamide
CID 79199124
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 61329211
2-methoxy-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 47307987
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427691
4-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 80543396
3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 47037109
2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride
CID 119854984
N-butan-2-yl-6-methylsulfonylpyridin-3-amine
CID 43675267
2-(2-amino-1,3-thiazol-4-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 62797643

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide?
The IUPAC name of 3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide (CID 47212321) is 3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide.
What is the SMILES notation for 3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide?
The canonical SMILES for 3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide is CC(C)CC(=O)Nc1ccc(S(C)(=O)=O)nc1.
What is the InChIKey of 3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide?
The InChIKey is UJZMRZSUKZYAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8(2)6-10(14)13-9-4-5-11(12-7-9)17(3,15)16/h4-5,7-8H,6H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide?
3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide has a molecular weight of 256.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide is sourced from PubChem (CID 47212321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).