2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid

C11H13N3O4S — CID 114612954

IUPAC2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid
SMILESCCC(C)(NS(=O)(=O)c1ccc(C#N)nc1)C(=O)O
InChIInChI=1S/C11H13N3O4S/c1-3-11(2,10(15)16)14-19(17,18)9-5-4-8(6-12)13-7-9/h4-5,7,14H,3H2,1-2H3,(H,15,16)
InChIKeyOKHZYIVMOMTHLB-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.48
Rot. Bonds5

About 2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid

2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid (PubChem CID 114612954) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid
PubChem CID114612954
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid
SMILESCCC(C)(NS(=O)(=O)c1ccc(C#N)nc1)C(=O)O
InChIInChI=1S/C11H13N3O4S/c1-3-11(2,10(15)16)14-19(17,18)9-5-4-8(6-12)13-7-9/h4-5,7,14H,3H2,1-2H3,(H,15,16)
InChIKeyOKHZYIVMOMTHLB-UHFFFAOYSA-N
XLogP0.48
TPSA120.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 114533438
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylpropanamide
CID 113229697
6-cyano-N-[3-(trifluoromethyl)pentan-3-yl]pyridine-3-sulfonamide
CID 126813970
N-[3-(aminomethyl)pentan-3-yl]-6-cyanopyridine-3-sulfonamide
CID 115752426
6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 107848455
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyanopyridine-3-sulfonamide
CID 114614909
2-[(4-butan-2-ylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 79790236
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
2-[[4-(cyanomethyl)phenyl]sulfonylamino]-2-methylpentanoic acid
CID 79186574
6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide
CID 115690391

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid (CID 114612954) is 2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid is CCC(C)(NS(=O)(=O)c1ccc(C#N)nc1)C(=O)O.
What is the InChIKey of 2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid?
The InChIKey is OKHZYIVMOMTHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-3-11(2,10(15)16)14-19(17,18)9-5-4-8(6-12)13-7-9/h4-5,7,14H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid?
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid has a molecular weight of 283.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid is sourced from PubChem (CID 114612954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).