6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid

C13H17N3O4S — CID 114612930

IUPAC6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid
SMILESCC(CCNS(=O)(=O)c1ccc(C#N)nc1)CCC(=O)O
InChIInChI=1S/C13H17N3O4S/c1-10(2-5-13(17)18)6-7-16-21(19,20)12-4-3-11(8-14)15-9-12/h3-4,9-10,16H,2,5-7H2,1H3,(H,17,18)
InChIKeyHBUPJPJKXANMBD-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.12
Rot. Bonds8

About 6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid

6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid (PubChem CID 114612930) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid
PubChem CID114612930
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid
SMILESCC(CCNS(=O)(=O)c1ccc(C#N)nc1)CCC(=O)O
InChIInChI=1S/C13H17N3O4S/c1-10(2-5-13(17)18)6-7-16-21(19,20)12-4-3-11(8-14)15-9-12/h3-4,9-10,16H,2,5-7H2,1H3,(H,17,18)
InChIKeyHBUPJPJKXANMBD-UHFFFAOYSA-N
XLogP1.12
TPSA120.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(6-cyano-3-pyridinyl)sulfonylamino]heptanoic acid
CID 115776570
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 115602709
methyl 6-[(6-cyano-3-pyridinyl)sulfonylamino]hexanoate
CID 115602651
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 114533438
3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid
CID 115776606
4-[(6-cyano-3-pyridinyl)amino]pentanoic acid
CID 115487300
6-cyano-N-hexylpyridine-3-sulfonamide
CID 113229666
6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide
CID 114614843
(2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid
CID 104935609
6-cyano-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 115753732

Frequently Asked Questions

What is the IUPAC name of 6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid?
The IUPAC name of 6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid (CID 114612930) is 6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid?
The canonical SMILES for 6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid is CC(CCNS(=O)(=O)c1ccc(C#N)nc1)CCC(=O)O.
What is the InChIKey of 6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid?
The InChIKey is HBUPJPJKXANMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-10(2-5-13(17)18)6-7-16-21(19,20)12-4-3-11(8-14)15-9-12/h3-4,9-10,16H,2,5-7H2,1H3,(H,17,18).
What are the key properties of 6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid?
6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid has a molecular weight of 311.36 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-cyano-3-pyridinyl)sulfonylamino]-4-methylhexanoic acid is sourced from PubChem (CID 114612930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).