1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide

C11H11N3O3S — CID 102821588

IUPAC1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1cc(C#CCO)ccn1
InChIInChI=1S/C11H11N3O3S/c1-9(8-12)18(16,17)14-11-7-10(3-2-6-15)4-5-13-11/h4-5,7,9,15H,6H2,1H3,(H,13,14)
InChIKeyXOYFLJFWHXLWKO-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.08
Rot. Bonds3

About 1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide

1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide (PubChem CID 102821588) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide
PubChem CID102821588
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1cc(C#CCO)ccn1
InChIInChI=1S/C11H11N3O3S/c1-9(8-12)18(16,17)14-11-7-10(3-2-6-15)4-5-13-11/h4-5,7,9,15H,6H2,1H3,(H,13,14)
InChIKeyXOYFLJFWHXLWKO-UHFFFAOYSA-N
XLogP0.08
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide
CID 102820674
3-[2-(ethylsulfamoylamino)-4-pyridinyl]prop-2-yn-1-ol
CID 102821654
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-phenylmethanesulfonamide
CID 102821632
4-[2-(methylsulfamoylamino)-4-pyridinyl]but-3-yn-1-ol
CID 102821691
(E)-3-[2-(1-cyanoethylsulfonylamino)-4-pyridinyl]prop-2-enoic acid
CID 102822166
ethyl 3-[[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]sulfamoyl]propanoate
CID 102821599
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]ethanesulfonamide
CID 102821679
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-(oxolan-2-yl)methanesulfonamide
CID 102821586
2-(diethylsulfamoylamino)-4-(4-hydroxybut-1-ynyl)pyridine
CID 102821702
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
CID 102820910
1-cyano-N-pyridazin-3-ylethanesulfonamide
CID 116787093
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3,5-dimethylbenzamide
CID 102821002

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide?
The IUPAC name of 1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide (CID 102821588) is 1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for 1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide is CC(C#N)S(=O)(=O)Nc1cc(C#CCO)ccn1.
What is the InChIKey of 1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide?
The InChIKey is XOYFLJFWHXLWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-9(8-12)18(16,17)14-11-7-10(3-2-6-15)4-5-13-11/h4-5,7,9,15H,6H2,1H3,(H,13,14).
What are the key properties of 1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide?
1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide has a molecular weight of 265.29 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 102821588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).