6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide

C10H13N3O2S2 — CID 115690499

IUPAC6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C10H13N3O2S2/c1-13(5-6-16-2)17(14,15)10-4-3-9(7-11)12-8-10/h3-4,8H,5-6H2,1-2H3
InChIKeyGNQXNCLRJIVONB-UHFFFAOYSA-N
MW271.37 g/mol
LogP0.94
Rot. Bonds5

About 6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide

6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide (PubChem CID 115690499) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
PubChem CID115690499
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC Name6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
SMILESCSCCN(C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C10H13N3O2S2/c1-13(5-6-16-2)17(14,15)10-4-3-9(7-11)12-8-10/h3-4,8H,5-6H2,1-2H3
InChIKeyGNQXNCLRJIVONB-UHFFFAOYSA-N
XLogP0.94
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid
CID 115776606
6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide
CID 113320170
6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide
CID 115605813
6-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 115897757
6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 114613874
N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide
CID 115752573
6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
CID 115621452
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
CID 114612849
6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 115602451
6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 115875810
6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide
CID 166403283
6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide
CID 113230112

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide (CID 115690499) is 6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide is CSCCN(C)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
The InChIKey is GNQXNCLRJIVONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-13(5-6-16-2)17(14,15)10-4-3-9(7-11)12-8-10/h3-4,8H,5-6H2,1-2H3.
What are the key properties of 6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide?
6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide has a molecular weight of 271.37 g/mol, XLogP of 0.94, 5 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-(2-methylsulfanylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115690499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).