4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid

C12H17NO4S2 — CID 61206867

IUPAC4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCc1cc2c(s1)CCC2
InChIInChI=1S/C12H17NO4S2/c14-12(15)5-2-6-19(16,17)13-8-10-7-9-3-1-4-11(9)18-10/h7,13H,1-6,8H2,(H,14,15)
InChIKeyFEGQTEBXDKYMFA-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.52
Rot. Bonds7

About 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid

4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid (PubChem CID 61206867) has the molecular formula C12H17NO4S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid
PubChem CID61206867
Molecular FormulaC12H17NO4S2
Molecular Weight303.41 g/mol
Exact Mass303.06
IUPAC Name4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCc1cc2c(s1)CCC2
InChIInChI=1S/C12H17NO4S2/c14-12(15)5-2-6-19(16,17)13-8-10-7-9-3-1-4-11(9)18-10/h7,13H,1-6,8H2,(H,14,15)
InChIKeyFEGQTEBXDKYMFA-UHFFFAOYSA-N
XLogP1.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide
CID 61209154
1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide
CID 63666222
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 61206682
2-[5-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 82893996
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
CID 61208365
5-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)pentanoic acid
CID 62031929
2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide
CID 61209157
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 61265462
3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methylbenzenesulfonamide
CID 61207389
N-cyclopentyl-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)acetamide
CID 61207061
4-[(3-aminophenyl)methylsulfamoyl]butanoic acid
CID 54951855
2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide
CID 61209155

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid?
The IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid (CID 61206867) is 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid is O=C(O)CCCS(=O)(=O)NCc1cc2c(s1)CCC2.
What is the InChIKey of 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid?
The InChIKey is FEGQTEBXDKYMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S2/c14-12(15)5-2-6-19(16,17)13-8-10-7-9-3-1-4-11(9)18-10/h7,13H,1-6,8H2,(H,14,15).
What are the key properties of 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid?
4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid has a molecular weight of 303.41 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid is sourced from PubChem (CID 61206867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).