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

C11H13N3O4S — CID 106593434

IUPAC3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNS(=O)(=O)c1cccnc1C#N)C(=O)O
InChIInChI=1S/C11H13N3O4S/c1-11(2,10(15)16)7-14-19(17,18)9-4-3-5-13-8(9)6-12/h3-5,14H,7H2,1-2H3,(H,15,16)
InChIKeyXZDUVNNWLHDGIX-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.34
Rot. Bonds5

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

3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid (PubChem CID 106593434) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
PubChem CID106593434
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNS(=O)(=O)c1cccnc1C#N)C(=O)O
InChIInChI=1S/C11H13N3O4S/c1-11(2,10(15)16)7-14-19(17,18)9-4-3-5-13-8(9)6-12/h3-5,14H,7H2,1-2H3,(H,15,16)
InChIKeyXZDUVNNWLHDGIX-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

2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
N-(3-amino-2,2-difluoropropyl)-2-cyanopyridine-3-sulfonamide
CID 106598697
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 106545234
3-[(2-cyano-3-pyridinyl)sulfonylamino]-N-ethylpropanamide
CID 106596234
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 106545352
2-cyano-N-(2-hydroxy-2-phenylethyl)pyridine-3-sulfonamide
CID 106546169
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 114533438
2-cyano-N-(3-ethylsulfanylpropyl)pyridine-3-sulfonamide
CID 114248056
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106545620
methyl 6-[(2-cyano-3-pyridinyl)sulfonylamino]hexanoate
CID 106545225

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid (CID 106593434) is 3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid is CC(C)(CNS(=O)(=O)c1cccnc1C#N)C(=O)O.
What is the InChIKey of 3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid?
The InChIKey is XZDUVNNWLHDGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-11(2,10(15)16)7-14-19(17,18)9-4-3-5-13-8(9)6-12/h3-5,14H,7H2,1-2H3,(H,15,16).
What are the key properties of 3-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid?
3-[(2-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-[(2-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 106593434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).