6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C14H18N2O5S2 — CID 120514751

IUPAC6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCC3(CC2)CC3C(=O)O)c1
InChIInChI=1S/C14H18N2O5S2/c1-15-23(20,21)9-6-11(22-8-9)12(17)16-4-2-14(3-5-16)7-10(14)13(18)19/h6,8,10,15H,2-5,7H2,1H3,(H,18,19)
InChIKeySTJDWEZXJIGWPR-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.98
Rot. Bonds4

About 6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 120514751) has the molecular formula C14H18N2O5S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID120514751
Molecular FormulaC14H18N2O5S2
Molecular Weight358.44 g/mol
Exact Mass358.07
IUPAC Name6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCNS(=O)(=O)c1csc(C(=O)N2CCC3(CC2)CC3C(=O)O)c1
InChIInChI=1S/C14H18N2O5S2/c1-15-23(20,21)9-6-11(22-8-9)12(17)16-4-2-14(3-5-16)7-10(14)13(18)19/h6,8,10,15H,2-5,7H2,1H3,(H,18,19)
InChIKeySTJDWEZXJIGWPR-UHFFFAOYSA-N
XLogP0.98
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 120514751) is 6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is CNS(=O)(=O)c1csc(C(=O)N2CCC3(CC2)CC3C(=O)O)c1.
What is the InChIKey of 6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is STJDWEZXJIGWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S2/c1-15-23(20,21)9-6-11(22-8-9)12(17)16-4-2-14(3-5-16)7-10(14)13(18)19/h6,8,10,15H,2-5,7H2,1H3,(H,18,19).
What are the key properties of 6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(methylsulfamoyl)thiophene-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 120514751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).