2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide

C12H15N3O3S — CID 106546677

IUPAC2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2cccnc2C#N)CCCOC1
InChIInChI=1S/C12H15N3O3S/c1-12(5-3-7-18-9-12)15-19(16,17)11-4-2-6-14-10(11)8-13/h2,4,6,15H,3,5,7,9H2,1H3
InChIKeyYIJOGBAHQXKPRP-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.80
Rot. Bonds3

About 2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide

2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide (PubChem CID 106546677) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide
PubChem CID106546677
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2cccnc2C#N)CCCOC1
InChIInChI=1S/C12H15N3O3S/c1-12(5-3-7-18-9-12)15-19(16,17)11-4-2-6-14-10(11)8-13/h2,4,6,15H,3,5,7,9H2,1H3
InChIKeyYIJOGBAHQXKPRP-UHFFFAOYSA-N
XLogP0.80
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453647
N~3~-(Tetrahydro-2H-pyran-4-ylmethyl)-3-pyridinesulfonamide
CID 110875682
5-cyano-6-methyl-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 121554312
3-[(4-Methoxy-4-methylpiperidin-1-yl)sulfonyl]pyridine-2-carbonitrile
CID 132373025
5-[(3-Ethylazetidin-1-yl)sulfonyl]pyridine-2-carbonitrile
CID 132386843
5-{[4-(3-Methoxypropoxy)piperidin-1-yl]sulfonyl}pyridine-2-carbonitrile
CID 132970004
6-cyano-N-(6-fluoro-6,7-dihydroquinolin-8-yl)pyridine-3-sulfonamide
CID 123642194
5-(3-Ethoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)pyridine
CID 75476523
N-[1-(oxolan-3-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75476542
N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75476562
N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75476563
2,5,5-Trimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]morpholine
CID 75519671

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide (CID 106546677) is 2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide is CC1(NS(=O)(=O)c2cccnc2C#N)CCCOC1.
What is the InChIKey of 2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide?
The InChIKey is YIJOGBAHQXKPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-12(5-3-7-18-9-12)15-19(16,17)11-4-2-6-14-10(11)8-13/h2,4,6,15H,3,5,7,9H2,1H3.
What are the key properties of 2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide?
2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-methyloxan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 106546677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).