6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide

C8H9N3O3S — CID 63214990

IUPAC6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide
SMILESN#CC(CO)c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C8H9N3O3S/c9-3-6(5-12)8-2-1-7(4-11-8)15(10,13)14/h1-2,4,6,12H,5H2,(H2,10,13,14)
InChIKeyZUBKVPYQTNINAG-UHFFFAOYSA-N
MW227.25 g/mol
LogP-0.67
Rot. Bonds3

About 6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide

6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide (PubChem CID 63214990) has the molecular formula C8H9N3O3S and a molecular weight of 227.25 g/mol. Its IUPAC name is 6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide
PubChem CID63214990
Molecular FormulaC8H9N3O3S
Molecular Weight227.25 g/mol
Exact Mass227.04
IUPAC Name6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide
SMILESN#CC(CO)c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C8H9N3O3S/c9-3-6(5-12)8-2-1-7(4-11-8)15(10,13)14/h1-2,4,6,12H,5H2,(H2,10,13,14)
InChIKeyZUBKVPYQTNINAG-UHFFFAOYSA-N
XLogP-0.67
TPSA117.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-cyano-2-(5-sulfamoyl-2-pyridinyl)acetate
CID 104571391
4-(2-chloro-1-cyanoethyl)benzenesulfonamide
CID 63216081
6-(3-bromopentan-2-yl)pyridine-3-sulfonamide
CID 63559497
6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide
CID 63200486
5-sulfamoylpyridine-2-carboxylic acid
CID 57336589
(3S)-3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride
CID 156774026
3-amino-3-(5-ethylsulfonyl-2-pyridinyl)propanenitrile;hydrochloride
CID 166644076
6-(trifluoromethyl)pyridine-3-sulfonamide
CID 59268886
4-(2-cyanoacetyl)benzenesulfonamide
CID 91621751
4-(1-cyano-2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 55163674
3-hydroxy-2-pyrimidin-2-ylpropanenitrile
CID 63215083
6-(2-cyanophenoxy)pyridine-3-sulfonamide
CID 112683212

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide (CID 63214990) is 6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide is N#CC(CO)c1ccc(S(N)(=O)=O)cn1.
What is the InChIKey of 6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide?
The InChIKey is ZUBKVPYQTNINAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c9-3-6(5-12)8-2-1-7(4-11-8)15(10,13)14/h1-2,4,6,12H,5H2,(H2,10,13,14).
What are the key properties of 6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide?
6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide has a molecular weight of 227.25 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyano-2-hydroxyethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 63214990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).