3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid

C10H11N3O4S — CID 115776606

IUPAC3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C10H11N3O4S/c1-13(5-4-10(14)15)18(16,17)9-3-2-8(6-11)12-7-9/h2-3,7H,4-5H2,1H3,(H,14,15)
InChIKeyAYXBGHFFYXIBAQ-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.05
Rot. Bonds5

About 3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid

3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid (PubChem CID 115776606) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid
PubChem CID115776606
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C10H11N3O4S/c1-13(5-4-10(14)15)18(16,17)9-3-2-8(6-11)12-7-9/h2-3,7H,4-5H2,1H3,(H,14,15)
InChIKeyAYXBGHFFYXIBAQ-UHFFFAOYSA-N
XLogP0.05
TPSA111.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide
CID 113320170
6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 115690499
6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide
CID 115605813
6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 114613874
7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
CID 115776570
N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide
CID 115752573
6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
CID 115621452
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
CID 114612849
3-[(3-bromo-4-cyanophenyl)sulfonyl-methylamino]propanoic acid
CID 120606495
6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 115875810
6-cyano-N-ethyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 115755442
6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid
CID 114612930

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid?
The IUPAC name of 3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid (CID 115776606) is 3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid is CN(CCC(=O)O)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid?
The InChIKey is AYXBGHFFYXIBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-13(5-4-10(14)15)18(16,17)9-3-2-8(6-11)12-7-9/h2-3,7H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid?
3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid has a molecular weight of 269.28 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid is sourced from PubChem (CID 115776606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).