5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide

C15H22N2O2S2 — CID 106268895

IUPAC5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ccc(C#N)s2)CC(C)(C)C1
InChIInChI=1S/C15H22N2O2S2/c1-14(2)7-11(8-15(3,4)10-14)17-21(18,19)13-6-5-12(9-16)20-13/h5-6,11,17H,7-8,10H2,1-4H3
InChIKeyXQNDKIJZWOKKFF-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.50
Rot. Bonds3

About 5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide

5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide (PubChem CID 106268895) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide
PubChem CID106268895
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC Name5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide
SMILESCC1(C)CC(NS(=O)(=O)c2ccc(C#N)s2)CC(C)(C)C1
InChIInChI=1S/C15H22N2O2S2/c1-14(2)7-11(8-15(3,4)10-14)17-21(18,19)13-6-5-12(9-16)20-13/h5-6,11,17H,7-8,10H2,1-4H3
InChIKeyXQNDKIJZWOKKFF-UHFFFAOYSA-N
XLogP3.50
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106269739
5-cyano-N-(1,1-dioxothian-4-yl)thiophene-2-sulfonamide
CID 106267400
5-cyano-N-(3-methylcyclohexyl)thiophene-2-sulfonamide
CID 106267297
5-cyano-N-cyclohex-3-en-1-ylthiophene-2-sulfonamide
CID 106269472
5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 114166495
5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
CID 106267728
N-(1-adamantyl)-5-cyanothiophene-2-sulfonamide
CID 106266905
5-cyano-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-sulfonamide
CID 114178763
5-cyano-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
CID 106268836
5-cyano-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-sulfonamide
CID 106269470
5-cyano-N-[(4-methyloxan-4-yl)methyl]thiophene-2-sulfonamide
CID 106269750
5-chloro-N-(3,3-dimethylcyclopentyl)thiophene-2-sulfonamide
CID 115881167

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide (CID 106268895) is 5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide is CC1(C)CC(NS(=O)(=O)c2ccc(C#N)s2)CC(C)(C)C1.
What is the InChIKey of 5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide?
The InChIKey is XQNDKIJZWOKKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-14(2)7-11(8-15(3,4)10-14)17-21(18,19)13-6-5-12(9-16)20-13/h5-6,11,17H,7-8,10H2,1-4H3.
What are the key properties of 5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide?
5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide has a molecular weight of 326.49 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3,3,5,5-tetramethylcyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106268895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).