4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid

C11H16N2O4S — CID 154841876

IUPAC4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid
SMILESCc1ccncc1S(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H16N2O4S/c1-9-5-6-12-8-10(9)18(16,17)13(2)7-3-4-11(14)15/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyGAIYBTMIGLSHNK-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.88
Rot. Bonds6

About 4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid

4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid (PubChem CID 154841876) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid
PubChem CID154841876
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid
SMILESCc1ccncc1S(=O)(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H16N2O4S/c1-9-5-6-12-8-10(9)18(16,17)13(2)7-3-4-11(14)15/h5-6,8H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyGAIYBTMIGLSHNK-UHFFFAOYSA-N
XLogP0.88
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 43422935
4-[methyl(naphthalen-1-ylsulfonyl)amino]butanoic acid
CID 115776536
4-[methyl-(2-methyl-4-nitrophenyl)sulfonylamino]butanoic acid
CID 43351477
4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid
CID 43235943
4-[methyl-(4-methylsulfonylphenyl)sulfonylamino]butanoic acid
CID 43244916
5-[(2-chlorophenyl)sulfonyl-methylamino]pentanoic acid
CID 69317552
4-[(3-fluoro-2-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 103298703
4-[(2,4-dimethoxyphenyl)sulfonyl-methylamino]butanoic acid
CID 43238128
4-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]butanoic acid
CID 39424256
4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361582
4-[(4-cyano-3-methylphenyl)sulfonyl-methylamino]butanoic acid
CID 106831543
4-[(5-chloro-2-cyanophenyl)sulfonyl-methylamino]butanoic acid
CID 43245320

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid (CID 154841876) is 4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid is Cc1ccncc1S(=O)(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid?
The InChIKey is GAIYBTMIGLSHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-9-5-6-12-8-10(9)18(16,17)13(2)7-3-4-11(14)15/h5-6,8H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid?
4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid has a molecular weight of 272.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(4-methyl-3-pyridinyl)sulfonyl]amino]butanoic acid is sourced from PubChem (CID 154841876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).