2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide

C11H15N3O3S2 — CID 106596242

IUPAC2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide
SMILESCC(CCS(C)=O)NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C11H15N3O3S2/c1-9(5-7-18(2)15)14-19(16,17)11-4-3-6-13-10(11)8-12/h3-4,6,9,14H,5,7H2,1-2H3
InChIKeyKSHRVKHKOQVGGC-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.39
Rot. Bonds6

About 2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide

2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 106596242) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID106596242
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC Name2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide
SMILESCC(CCS(C)=O)NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C11H15N3O3S2/c1-9(5-7-18(2)15)14-19(16,17)11-4-3-6-13-10(11)8-12/h3-4,6,9,14H,5,7H2,1-2H3
InChIKeyKSHRVKHKOQVGGC-UHFFFAOYSA-N
XLogP0.39
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(4-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106545893
2-cyano-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 106546133
3-[(2-cyano-3-pyridinyl)sulfonylamino]butanoic acid
CID 106593255
2-cyano-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 106545154
2-cyano-N-octan-4-ylpyridine-3-sulfonamide
CID 106546437
2-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyridine-3-sulfonamide
CID 106546179
2-cyano-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 106546835
2-cyano-N-[(2S)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 106546656
2-cyano-N-(2-ethylsulfinylethyl)pyridine-3-sulfonamide
CID 106546033
N-tert-butyl-2-[(2-cyano-3-pyridinyl)sulfonylamino]propanamide
CID 106545736
2-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 106545998
2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide
CID 106546616

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide (CID 106596242) is 2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide is CC(CCS(C)=O)NS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is KSHRVKHKOQVGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-9(5-7-18(2)15)14-19(16,17)11-4-3-6-13-10(11)8-12/h3-4,6,9,14H,5,7H2,1-2H3.
What are the key properties of 2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide?
2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-methylsulfinylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 106596242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).