(2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid

C10H9N3O6S — CID 104935609

IUPAC(2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid
SMILESN#Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O)cn1
InChIInChI=1S/C10H9N3O6S/c11-4-6-1-2-7(5-12-6)20(18,19)13-8(10(16)17)3-9(14)15/h1-2,5,8,13H,3H2,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyVEZZABJVYIOYLY-QMMMGPOBSA-N
MW299.26 g/mol
LogP-0.84
Rot. Bonds6

About (2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid

(2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid (PubChem CID 104935609) has the molecular formula C10H9N3O6S and a molecular weight of 299.26 g/mol. Its IUPAC name is (2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid
PubChem CID104935609
Molecular FormulaC10H9N3O6S
Molecular Weight299.26 g/mol
Exact Mass299.02
IUPAC Name(2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid
SMILESN#Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O)cn1
InChIInChI=1S/C10H9N3O6S/c11-4-6-1-2-7(5-12-6)20(18,19)13-8(10(16)17)3-9(14)15/h1-2,5,8,13H,3H2,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyVEZZABJVYIOYLY-QMMMGPOBSA-N
XLogP-0.84
TPSA157.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 114517795
methyl 2-[(6-cyano-3-pyridinyl)sulfonylamino]propanoate
CID 114613820
2-[(4-aminophenyl)sulfonylamino]butanedioic acid
CID 71945726
7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
CID 115776570
6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 115753732
6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid
CID 114612930
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2-hydroxypropanamide
CID 114153229
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 114533438
2-[(6-cyano-3-pyridinyl)sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 114613924
6-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyridine-3-sulfonamide
CID 107848455
6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide
CID 103836844
2-[(6-cyano-3-pyridinyl)sulfonylamino]-2-methylbutanoic acid
CID 114612954

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid?
The IUPAC name of (2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid (CID 104935609) is (2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid.
What is the SMILES notation for (2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid?
The canonical SMILES for (2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid is N#Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O)cn1.
What is the InChIKey of (2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid?
The InChIKey is VEZZABJVYIOYLY-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9N3O6S/c11-4-6-1-2-7(5-12-6)20(18,19)13-8(10(16)17)3-9(14)15/h1-2,5,8,13H,3H2,(H,14,15)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid?
(2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid has a molecular weight of 299.26 g/mol, XLogP of -0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid is sourced from PubChem (CID 104935609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).