5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide

C9H12N2O3S3 — CID 114166393

IUPAC5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide
SMILESCCS(=O)CCNS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C9H12N2O3S3/c1-2-16(12)6-5-11-17(13,14)9-4-3-8(7-10)15-9/h3-4,11H,2,5-6H2,1H3
InChIKeyFYUCIZRKKZBJHB-UHFFFAOYSA-N
MW292.41 g/mol
LogP0.67
Rot. Bonds6

About 5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide

5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide (PubChem CID 114166393) has the molecular formula C9H12N2O3S3 and a molecular weight of 292.41 g/mol. Its IUPAC name is 5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide
PubChem CID114166393
Molecular FormulaC9H12N2O3S3
Molecular Weight292.41 g/mol
Exact Mass292.00
IUPAC Name5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide
SMILESCCS(=O)CCNS(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C9H12N2O3S3/c1-2-16(12)6-5-11-17(13,14)9-4-3-8(7-10)15-9/h3-4,11H,2,5-6H2,1H3
InChIKeyFYUCIZRKKZBJHB-UHFFFAOYSA-N
XLogP0.67
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-5-cyanothiophene-2-sulfonamide
CID 106266954
5-cyano-N-decylthiophene-2-sulfonamide
CID 106268639
5-cyano-N-(3-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 114166224
5-[(2-ethylsulfinylethylamino)methyl]thiophene-2-carbonitrile
CID 115675853
4-[(5-cyanothiophen-2-yl)sulfonylamino]-2-methylbutanoic acid
CID 106265760
2-[(5-cyanothiophen-2-yl)sulfonylamino]-N-propylacetamide
CID 106267367
5-cyano-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 106267146
5-cyano-N-(2-methyl-2-methylsulfonylpropyl)thiophene-2-sulfonamide
CID 106268602
5-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 106428781
2-[(5-cyanothiophen-2-yl)sulfonylamino]ethyl carbamate
CID 114166352
5-cyano-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 106267494
5-cyano-N-[(5-methylthiophen-2-yl)methyl]thiophene-2-sulfonamide
CID 106268021

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide (CID 114166393) is 5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide is CCS(=O)CCNS(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide?
The InChIKey is FYUCIZRKKZBJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S3/c1-2-16(12)6-5-11-17(13,14)9-4-3-8(7-10)15-9/h3-4,11H,2,5-6H2,1H3.
What are the key properties of 5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide?
5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide has a molecular weight of 292.41 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-ethylsulfinylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114166393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).