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

C14H20N2O2S2 — CID 106267728

IUPAC5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
SMILESCCCC1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1
InChIInChI=1S/C14H20N2O2S2/c1-2-3-11-4-6-12(7-5-11)16-20(17,18)14-9-8-13(10-15)19-14/h8-9,11-12,16H,2-7H2,1H3
InChIKeyYKSJMAMDQZWWEI-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.26
Rot. Bonds5

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

5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide (PubChem CID 106267728) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
PubChem CID106267728
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC Name5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide
SMILESCCCC1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1
InChIInChI=1S/C14H20N2O2S2/c1-2-3-11-4-6-12(7-5-11)16-20(17,18)14-9-8-13(10-15)19-14/h8-9,11-12,16H,2-7H2,1H3
InChIKeyYKSJMAMDQZWWEI-UHFFFAOYSA-N
XLogP3.26
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide (CID 106267728) is 5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide is CCCC1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1.
What is the InChIKey of 5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide?
The InChIKey is YKSJMAMDQZWWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c1-2-3-11-4-6-12(7-5-11)16-20(17,18)14-9-8-13(10-15)19-14/h8-9,11-12,16H,2-7H2,1H3.
What are the key properties of 5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide?
5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide has a molecular weight of 312.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(4-propylcyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106267728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).