5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide

C9H14N2O4S3 — CID 64554947

IUPAC5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)C2CC2)s1
InChIInChI=1S/C9H14N2O4S3/c10-17(12,13)9-4-1-7(16-9)5-6-11-18(14,15)8-2-3-8/h1,4,8,11H,2-3,5-6H2,(H2,10,12,13)
InChIKeyXCCVDLXXZGPJGL-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.02
Rot. Bonds6

About 5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide

5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 64554947) has the molecular formula C9H14N2O4S3 and a molecular weight of 310.42 g/mol. Its IUPAC name is 5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide
PubChem CID64554947
Molecular FormulaC9H14N2O4S3
Molecular Weight310.42 g/mol
Exact Mass310.01
IUPAC Name5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)C2CC2)s1
InChIInChI=1S/C9H14N2O4S3/c10-17(12,13)9-4-1-7(16-9)5-6-11-18(14,15)8-2-3-8/h1,4,8,11H,2-3,5-6H2,(H2,10,12,13)
InChIKeyXCCVDLXXZGPJGL-UHFFFAOYSA-N
XLogP0.02
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-thiophen-2-ylthiophen-2-yl)ethyl]cyclopropanesulfonamide
CID 155800795
5-[2-[[methyl(propan-2-yl)sulfamoyl]amino]ethyl]thiophene-2-sulfonamide
CID 61454031
N-(2-thiophen-2-ylethyl)cyclopropanesulfonamide
CID 45497316
5-[2-(2-methoxyethylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 55014443
2-cyclohexyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
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N-[2-(5-sulfamoylthiophen-2-yl)ethyl]thiane-2-carboxamide
CID 80595560
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 113224273
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246441
N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133898
4-[3-(cyclopropylsulfonylamino)propyl]benzenesulfonamide
CID 64553058
3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]but-2-enamide
CID 61128280
4-hydroxy-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 61128277

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide (CID 64554947) is 5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)C2CC2)s1.
What is the InChIKey of 5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is XCCVDLXXZGPJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S3/c10-17(12,13)9-4-1-7(16-9)5-6-11-18(14,15)8-2-3-8/h1,4,8,11H,2-3,5-6H2,(H2,10,12,13).
What are the key properties of 5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide?
5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylsulfonylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 64554947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).