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

C11H13N3O4S — CID 114533438

IUPAC3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNS(=O)(=O)c1ccc(C#N)nc1)C(=O)O
InChIInChI=1S/C11H13N3O4S/c1-11(2,10(15)16)7-14-19(17,18)9-4-3-8(5-12)13-6-9/h3-4,6,14H,7H2,1-2H3,(H,15,16)
InChIKeyRVCQUWPTKKVOQX-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.34
Rot. Bonds5

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

3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid (PubChem CID 114533438) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
PubChem CID114533438
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNS(=O)(=O)c1ccc(C#N)nc1)C(=O)O
InChIInChI=1S/C11H13N3O4S/c1-11(2,10(15)16)7-14-19(17,18)9-4-3-8(5-12)13-6-9/h3-4,6,14H,7H2,1-2H3,(H,15,16)
InChIKeyRVCQUWPTKKVOQX-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118
6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 113462897
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid
CID 114612954
6-cyano-N-(2,2-dimethylheptyl)pyridine-3-sulfonamide
CID 115690391
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylpropanamide
CID 113229697
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
CID 115776570
3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 106593434
6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 107848455
6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid
CID 114612930
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2-hydroxypropanamide
CID 114153229

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid (CID 114533438) is 3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid is CC(C)(CNS(=O)(=O)c1ccc(C#N)nc1)C(=O)O.
What is the InChIKey of 3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid?
The InChIKey is RVCQUWPTKKVOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-11(2,10(15)16)7-14-19(17,18)9-4-3-8(5-12)13-6-9/h3-4,6,14H,7H2,1-2H3,(H,15,16).
What are the key properties of 3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid?
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid has a molecular weight of 283.31 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 114533438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).