3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid

C10H11N3O4S — CID 106593255

IUPAC3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C10H11N3O4S/c1-7(5-10(14)15)13-18(16,17)9-3-2-4-12-8(9)6-11/h2-4,7,13H,5H2,1H3,(H,14,15)
InChIKeyAXLOJCGWMJJNAJ-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.09
Rot. Bonds5

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

3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid (PubChem CID 106593255) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
PubChem CID106593255
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C10H11N3O4S/c1-7(5-10(14)15)13-18(16,17)9-3-2-4-12-8(9)6-11/h2-4,7,13H,5H2,1H3,(H,14,15)
InChIKeyAXLOJCGWMJJNAJ-UHFFFAOYSA-N
XLogP0.09
TPSA120.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
2-cyano-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106545893
2-cyano-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 106546133
2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide
CID 106596242
N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide
CID 106545736
(2S)-2-[(2-cyano-3-pyridinyl)sulfonylamino]hexanoic acid
CID 107144955
2-[(2-cyano-3-pyridinyl)sulfonyl-propan-2-ylamino]acetic acid
CID 106593268
tert-butyl (2R)-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanoate
CID 106546546
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide
CID 106546179
2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid
CID 106593407
2-cyano-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 106545234

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid?
The IUPAC name of 3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid (CID 106593255) is 3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid?
The canonical SMILES for 3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid is CC(CC(=O)O)NS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid?
The InChIKey is AXLOJCGWMJJNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-7(5-10(14)15)13-18(16,17)9-3-2-4-12-8(9)6-11/h2-4,7,13H,5H2,1H3,(H,14,15).
What are the key properties of 3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid?
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid has a molecular weight of 269.28 g/mol, XLogP of 0.09, 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]butanoic acid is sourced from PubChem (CID 106593255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).