2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid

C12H15N3O5S — CID 106593407

IUPAC2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid
SMILESCOCCCC(NS(=O)(=O)c1cccnc1C#N)C(=O)O
InChIInChI=1S/C12H15N3O5S/c1-20-7-3-4-9(12(16)17)15-21(18,19)11-5-2-6-14-10(11)8-13/h2,5-6,9,15H,3-4,7H2,1H3,(H,16,17)
InChIKeySYAMQCXXTJTBDA-UHFFFAOYSA-N
MW313.34 g/mol
LogP0.11
Rot. Bonds8

About 2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid

2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid (PubChem CID 106593407) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid
PubChem CID106593407
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid
SMILESCOCCCC(NS(=O)(=O)c1cccnc1C#N)C(=O)O
InChIInChI=1S/C12H15N3O5S/c1-20-7-3-4-9(12(16)17)15-21(18,19)11-5-2-6-14-10(11)8-13/h2,5-6,9,15H,3-4,7H2,1H3,(H,16,17)
InChIKeySYAMQCXXTJTBDA-UHFFFAOYSA-N
XLogP0.11
TPSA129.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2-cyano-3-pyridinyl)sulfonylamino]hexanoic acid
CID 107144955
2-cyano-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106545893
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
2-[(3-fluoro-2-pyridinyl)sulfonylamino]-5-methoxypentanoic acid
CID 103298878
2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106546616
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide
CID 106546179
2-cyano-N-octan-4-ylpyridine-3-sulfonamide
CID 106546437
2-[(2-cyano-3-pyridinyl)sulfonyl-(2-methoxyethyl)amino]acetic acid
CID 106593294
tert-butyl (2R)-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanoate
CID 106546546
2-[(2-cyanophenyl)sulfonylamino]hexanoic acid
CID 43386741
2-[(4-chloro-2-fluorophenyl)sulfonylamino]-5-methoxypentanoic acid
CID 81086354

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid (CID 106593407) is 2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid is COCCCC(NS(=O)(=O)c1cccnc1C#N)C(=O)O.
What is the InChIKey of 2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid?
The InChIKey is SYAMQCXXTJTBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-20-7-3-4-9(12(16)17)15-21(18,19)11-5-2-6-14-10(11)8-13/h2,5-6,9,15H,3-4,7H2,1H3,(H,16,17).
What are the key properties of 2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid?
2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid has a molecular weight of 313.34 g/mol, XLogP of 0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-3-pyridinyl)sulfonylamino]-5-methoxypentanoic acid is sourced from PubChem (CID 106593407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).