6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide

C10H13N3O3S2 — CID 115763709

IUPAC6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(C#N)nc1)S(C)=O
InChIInChI=1S/C10H13N3O3S2/c1-8(17(2)14)6-13-18(15,16)10-4-3-9(5-11)12-7-10/h3-4,7-8,13H,6H2,1-2H3
InChIKeyAWQUPBJAUARPGV-UHFFFAOYSA-N
MW287.37 g/mol
LogP-0.00
Rot. Bonds5

About 6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide

6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide (PubChem CID 115763709) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide
PubChem CID115763709
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(C#N)nc1)S(C)=O
InChIInChI=1S/C10H13N3O3S2/c1-8(17(2)14)6-13-18(15,16)10-4-3-9(5-11)12-7-10/h3-4,7-8,13H,6H2,1-2H3
InChIKeyAWQUPBJAUARPGV-UHFFFAOYSA-N
XLogP-0.00
TPSA99.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile
CID 115764283
6-cyano-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-sulfonamide
CID 103836844
6-cyano-N-propylpyridine-3-sulfonamide
CID 115602408
3-[(6-cyano-3-pyridinyl)sulfonylamino]-2-hydroxypropanamide
CID 114153229
6-cyano-N-pentylpyridine-3-sulfonamide
CID 115602354
2-[4-(2-methylsulfinylpropylsulfamoyl)phenoxy]acetic acid
CID 104656122
6-cyano-N-hexylpyridine-3-sulfonamide
CID 113229666
6-cyano-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 115602709
6-cyano-N-[2-(propylamino)ethyl]pyridine-3-sulfonamide
CID 114614843
6-cyano-N-[3-(cyclopropylamino)propyl]pyridine-3-sulfonamide
CID 114614830
6-cyano-N-[(1-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 115618854
6-cyano-N-(2-ethyl-2-hydroxybutyl)pyridine-3-sulfonamide
CID 115754118

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide (CID 115763709) is 6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide is CC(CNS(=O)(=O)c1ccc(C#N)nc1)S(C)=O.
What is the InChIKey of 6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide?
The InChIKey is AWQUPBJAUARPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-8(17(2)14)6-13-18(15,16)10-4-3-9(5-11)12-7-10/h3-4,7-8,13H,6H2,1-2H3.
What are the key properties of 6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide?
6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115763709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).