5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide

C11H14N2O3S2 — CID 114166157

IUPAC5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H14N2O3S2/c1-13(9-4-6-16-7-5-9)18(14,15)11-3-2-10(8-12)17-11/h2-3,9H,4-7H2,1H3
InChIKeyWNFNKGHTRCGIJX-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.42
Rot. Bonds3

About 5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide

5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide (PubChem CID 114166157) has the molecular formula C11H14N2O3S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
PubChem CID114166157
Molecular FormulaC11H14N2O3S2
Molecular Weight286.38 g/mol
Exact Mass286.04
IUPAC Name5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide
SMILESCN(C1CCOCC1)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C11H14N2O3S2/c1-13(9-4-6-16-7-5-9)18(14,15)11-3-2-10(8-12)17-11/h2-3,9H,4-7H2,1H3
InChIKeyWNFNKGHTRCGIJX-UHFFFAOYSA-N
XLogP1.42
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-(1-ethylpiperidin-4-yl)-N-methylthiophene-2-sulfonamide
CID 106267859
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-cyano-N-methylthiophene-2-sulfonamide
CID 106272763
5-[methyl(oxan-4-yl)sulfamoyl]thiophene-2-carbothioamide
CID 106270447
5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
5-cyano-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide
CID 106272948
5-cyano-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-sulfonamide
CID 106268641
5-cyano-N-methyl-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 106268008
4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 103717226
2-[(5-cyanothiophen-2-yl)sulfonyl-cyclopentylamino]acetic acid
CID 106265415
5-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 82745858
5-cyano-N-methyl-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 106267326
5-cyano-N-methyl-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 114166213

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide (CID 114166157) is 5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide is CN(C1CCOCC1)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide?
The InChIKey is WNFNKGHTRCGIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S2/c1-13(9-4-6-16-7-5-9)18(14,15)11-3-2-10(8-12)17-11/h2-3,9H,4-7H2,1H3.
What are the key properties of 5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide?
5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide has a molecular weight of 286.38 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-methyl-N-(oxan-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 114166157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).