5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide

C8H14N2O4S3 — CID 43134149

IUPAC5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide
SMILESCCS(=O)(=O)NC(C)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C8H14N2O4S3/c1-3-16(11,12)10-6(2)7-4-5-8(15-7)17(9,13)14/h4-6,10H,3H2,1-2H3,(H2,9,13,14)
InChIKeyAFCWNKHSFVOEPJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.40
Rot. Bonds5

About 5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide

5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 43134149) has the molecular formula C8H14N2O4S3 and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide
PubChem CID43134149
Molecular FormulaC8H14N2O4S3
Molecular Weight298.41 g/mol
Exact Mass298.01
IUPAC Name5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide
SMILESCCS(=O)(=O)NC(C)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C8H14N2O4S3/c1-3-16(11,12)10-6(2)7-4-5-8(15-7)17(9,13)14/h4-6,10H,3H2,1-2H3,(H2,9,13,14)
InChIKeyAFCWNKHSFVOEPJ-UHFFFAOYSA-N
XLogP0.40
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-Thienylmethyl)-2,5-Thiophenedisulfonamide
CID 4293
N-cyclopropyl-5-methyl-2-thiophenesulfonamide
CID 2241003
US10807974, Example 9
CID 130344870
(5-Thiophen-2-ylsulfonylthiophen-2-yl)methanamine;hydrochloride
CID 130345102
US10807974, Example 5
CID 130358172
5-(Aminomethyl)thiophene-2-sulfonamide
CID 4961814
Benzenesulfonamide, N-(2-thienylmethyl)-
CID 2820601
N-cyclohexyl-2,5-dimethylthiophene-3-sulfonamide
CID 712013
US10807974, Example 3
CID 130345075
US10807974, Example 18
CID 130358016
US10807974, Example 10
CID 130358395
US10807974, Example 12
CID 130358029

Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide (CID 43134149) is 5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide is CCS(=O)(=O)NC(C)c1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is AFCWNKHSFVOEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S3/c1-3-16(11,12)10-6(2)7-4-5-8(15-7)17(9,13)14/h4-6,10H,3H2,1-2H3,(H2,9,13,14).
What are the key properties of 5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide?
5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 43134149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).