6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide

C11H15N3O4S — CID 115875810

IUPAC6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O4S/c1-14(7-10(15)8-18-2)19(16,17)11-4-3-9(5-12)13-6-11/h3-4,6,10,15H,7-8H2,1-2H3
InChIKeyAFLSRCGMAQVIMY-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.42
Rot. Bonds6

About 6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide

6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide (PubChem CID 115875810) has the molecular formula C11H15N3O4S and a molecular weight of 285.33 g/mol. Its IUPAC name is 6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
PubChem CID115875810
Molecular FormulaC11H15N3O4S
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C11H15N3O4S/c1-14(7-10(15)8-18-2)19(16,17)11-4-3-9(5-12)13-6-11/h3-4,6,10,15H,7-8H2,1-2H3
InChIKeyAFLSRCGMAQVIMY-UHFFFAOYSA-N
XLogP-0.42
TPSA103.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153514
6-cyano-N-ethyl-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 115602608
6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide
CID 113320170
5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 64608793
6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide
CID 115605813
3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid
CID 115776606
6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
CID 103188942
6-cyano-N-ethyl-N-propan-2-ylpyridine-3-sulfonamide
CID 113230112
4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide
CID 97246564
6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 115690499
6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 115602451
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
CID 114612849

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide (CID 115875810) is 6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide is COCC(O)CN(C)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is AFLSRCGMAQVIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-14(7-10(15)8-18-2)19(16,17)11-4-3-9(5-12)13-6-11/h3-4,6,10,15H,7-8H2,1-2H3.
What are the key properties of 6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide?
6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 285.33 g/mol, XLogP of -0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 115875810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).