5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide

C10H14N2O2S2 — CID 106266850

IUPAC5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H14N2O2S2/c1-4-10(2,3)12-16(13,14)9-6-5-8(7-11)15-9/h5-6,12H,4H2,1-3H3
InChIKeyXGLNAJGLRIEODB-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.09
Rot. Bonds4

About 5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide

5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide (PubChem CID 106266850) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
PubChem CID106266850
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC Name5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
SMILESCCC(C)(C)NS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C10H14N2O2S2/c1-4-10(2,3)12-16(13,14)9-6-5-8(7-11)15-9/h5-6,12H,4H2,1-3H3
InChIKeyXGLNAJGLRIEODB-UHFFFAOYSA-N
XLogP2.09
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide
CID 19682083
5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 106268602
N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
CID 106266730
5-cyano-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-sulfonamide
CID 114166516
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide
CID 106266731
5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
CID 106267728
5-cyano-N-(2-methoxyethoxy)thiophene-2-sulfonamide
CID 106266016
3-cyano-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 7510319
5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide
CID 114166393

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide (CID 106266850) is 5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide is CCC(C)(C)NS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is XGLNAJGLRIEODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-4-10(2,3)12-16(13,14)9-6-5-8(7-11)15-9/h5-6,12H,4H2,1-3H3.
What are the key properties of 5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide?
5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 258.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-methylbutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106266850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).