5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide

C12H16N2O2S3 — CID 106269739

IUPAC5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1
InChIInChI=1S/C12H16N2O2S3/c1-17-10-4-2-9(3-5-10)14-19(15,16)12-7-6-11(8-13)18-12/h6-7,9-10,14H,2-5H2,1H3
InChIKeyYTMHACHXUVZKFN-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.57
Rot. Bonds4

About 5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide

5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide (PubChem CID 106269739) has the molecular formula C12H16N2O2S3 and a molecular weight of 316.47 g/mol. Its IUPAC name is 5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
PubChem CID106269739
Molecular FormulaC12H16N2O2S3
Molecular Weight316.47 g/mol
Exact Mass316.04
IUPAC Name5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1
InChIInChI=1S/C12H16N2O2S3/c1-17-10-4-2-9(3-5-10)14-19(15,16)12-7-6-11(8-13)18-12/h6-7,9-10,14H,2-5H2,1H3
InChIKeyYTMHACHXUVZKFN-UHFFFAOYSA-N
XLogP2.57
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide (CID 106269739) is 5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide is CSC1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1.
What is the InChIKey of 5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
The InChIKey is YTMHACHXUVZKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S3/c1-17-10-4-2-9(3-5-10)14-19(15,16)12-7-6-11(8-13)18-12/h6-7,9-10,14H,2-5H2,1H3.
What are the key properties of 5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide?
5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106269739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).