6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide

C12H17N3O2S2 — CID 115897757

IUPAC6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O2S2/c1-4-11(9-18-3)15(2)19(16,17)12-6-5-10(7-13)14-8-12/h5-6,8,11H,4,9H2,1-3H3
InChIKeyPBWKPUXKYKGUPY-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.72
Rot. Bonds6

About 6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide

6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 115897757) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID115897757
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(CSC)N(C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H17N3O2S2/c1-4-11(9-18-3)15(2)19(16,17)12-6-5-10(7-13)14-8-12/h5-6,8,11H,4,9H2,1-3H3
InChIKeyPBWKPUXKYKGUPY-UHFFFAOYSA-N
XLogP1.72
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide (CID 115897757) is 6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide is CCC(CSC)N(C)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is PBWKPUXKYKGUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-4-11(9-18-3)15(2)19(16,17)12-6-5-10(7-13)14-8-12/h5-6,8,11H,4,9H2,1-3H3.
What are the key properties of 6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115897757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).