5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide

C9H16N2O4S3 — CID 60862958

IUPAC5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)C)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C9H16N2O4S3/c1-6(2)18(14,15)11-7(3)8-4-5-9(16-8)17(10,12)13/h4-7,11H,1-3H3,(H2,10,12,13)
InChIKeyVKFUGMZKHZNHBH-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.78
Rot. Bonds5

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

5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide (PubChem CID 60862958) has the molecular formula C9H16N2O4S3 and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide
PubChem CID60862958
Molecular FormulaC9H16N2O4S3
Molecular Weight312.44 g/mol
Exact Mass312.03
IUPAC Name5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)C)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C9H16N2O4S3/c1-6(2)18(14,15)11-7(3)8-4-5-9(16-8)17(10,12)13/h4-7,11H,1-3H3,(H2,10,12,13)
InChIKeyVKFUGMZKHZNHBH-UHFFFAOYSA-N
XLogP0.78
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(ethylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 43134149
5-[1-(cyclopentylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 105361263
5-[1-(3,3-dimethylbutylsulfonylamino)ethyl]thiophene-2-sulfonamide
CID 103521332
N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyridine-3-sulfonamide
CID 43134153
1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]imidazole-4-sulfonamide
CID 62373470
N-[1-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133919
4-iodo-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]benzamide
CID 43246478
3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide
CID 114875220
2-ethoxy-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]acetamide
CID 43133916
1-amino-N-[1-(5-methylthiophen-2-yl)ethyl]propane-2-sulfonamide
CID 106050246
5-[cyclopropyl(methylamino)methyl]thiophene-2-sulfonamide
CID 146570649
1-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pyrazole-4-carboxamide
CID 43246483

Frequently Asked Questions

What is the IUPAC name of 5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide (CID 60862958) is 5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide is CC(NS(=O)(=O)C(C)C)c1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide?
The InChIKey is VKFUGMZKHZNHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S3/c1-6(2)18(14,15)11-7(3)8-4-5-9(16-8)17(10,12)13/h4-7,11H,1-3H3,(H2,10,12,13).
What are the key properties of 5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide?
5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(propan-2-ylsulfonylamino)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 60862958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).