5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide

C9H12N2O3S2 — CID 106267459

IUPAC5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C9H12N2O3S2/c1-2-11(5-6-12)16(13,14)9-4-3-8(7-10)15-9/h3-4,12H,2,5-6H2,1H3
InChIKeySHVHAQDJRFMCRL-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.62
Rot. Bonds5

About 5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide

5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide (PubChem CID 106267459) has the molecular formula C9H12N2O3S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
PubChem CID106267459
Molecular FormulaC9H12N2O3S2
Molecular Weight260.34 g/mol
Exact Mass260.03
IUPAC Name5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
SMILESCCN(CCO)S(=O)(=O)c1ccc(C#N)s1
InChIInChI=1S/C9H12N2O3S2/c1-2-11(5-6-12)16(13,14)9-4-3-8(7-10)15-9/h3-4,12H,2,5-6H2,1H3
InChIKeySHVHAQDJRFMCRL-UHFFFAOYSA-N
XLogP0.62
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-[3-(dimethylamino)propyl]-N-ethylthiophene-2-sulfonamide
CID 106269262
5-cyano-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-sulfonamide
CID 106267815
5-cyano-N-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 106267582
5-cyano-N-ethyl-N-methylthiophene-2-sulfonamide
CID 106267270
5-bromo-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 39456166
5-cyano-N-(5-hydroxypentyl)-N-methylthiophene-2-sulfonamide
CID 106269325
methyl 2-[(5-cyanothiophen-2-yl)sulfonyl-propylamino]acetate
CID 106267875
5-(2-aminoethyl)-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 54879826
5-cyano-N-ethyl-N-(piperidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106273103
5-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylthiophene-2-sulfonamide
CID 106269281
5-cyano-N-methyl-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 106266702
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-2-sulfonamide
CID 115755446

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide (CID 106267459) is 5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide is CCN(CCO)S(=O)(=O)c1ccc(C#N)s1.
What is the InChIKey of 5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
The InChIKey is SHVHAQDJRFMCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S2/c1-2-11(5-6-12)16(13,14)9-4-3-8(7-10)15-9/h3-4,12H,2,5-6H2,1H3.
What are the key properties of 5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide?
5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide has a molecular weight of 260.34 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-ethyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106267459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).