6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide

C14H19N3O2S — CID 115602563

IUPAC6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C14H19N3O2S/c1-11(2)7-8-17(13-4-5-13)20(18,19)14-6-3-12(9-15)16-10-14/h3,6,10-11,13H,4-5,7-8H2,1-2H3
InChIKeyFFWUTNUZLZBUKK-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.15
Rot. Bonds6

About 6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide

6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide (PubChem CID 115602563) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide
PubChem CID115602563
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C14H19N3O2S/c1-11(2)7-8-17(13-4-5-13)20(18,19)14-6-3-12(9-15)16-10-14/h3,6,10-11,13H,4-5,7-8H2,1-2H3
InChIKeyFFWUTNUZLZBUKK-UHFFFAOYSA-N
XLogP2.15
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide (CID 115602563) is 6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide is CC(C)CCN(C1CC1)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
The InChIKey is FFWUTNUZLZBUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-11(2)7-8-17(13-4-5-13)20(18,19)14-6-3-12(9-15)16-10-14/h3,6,10-11,13H,4-5,7-8H2,1-2H3.
What are the key properties of 6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide?
6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-cyclopropyl-N-(3-methylbutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115602563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).