N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide

C12H19NO2S2 — CID 712013

IUPACN-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)c(C)s1
InChIInChI=1S/C12H19NO2S2/c1-9-8-12(10(2)16-9)17(14,15)13-11-6-4-3-5-7-11/h8,11,13H,3-7H2,1-2H3
InChIKeyHYWGSSJEACRWGV-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.98
Rot. Bonds3

About N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide

N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 712013) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide
PubChem CID712013
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC NameN-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)c(C)s1
InChIInChI=1S/C12H19NO2S2/c1-9-8-12(10(2)16-9)17(14,15)13-11-6-4-3-5-7-11/h8,11,13H,3-7H2,1-2H3
InChIKeyHYWGSSJEACRWGV-UHFFFAOYSA-N
XLogP2.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide (CID 712013) is N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NC2CCCCC2)c(C)s1.
What is the InChIKey of N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is HYWGSSJEACRWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-9-8-12(10(2)16-9)17(14,15)13-11-6-4-3-5-7-11/h8,11,13H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide?
N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 273.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 712013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).