4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid

C10H14N2O4S2 — CID 80583992

IUPAC4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CCCS2)c[nH]1
InChIInChI=1S/C10H14N2O4S2/c13-10(14)9-4-8(6-11-9)18(15,16)12-5-7-2-1-3-17-7/h4,6-7,11-12H,1-3,5H2,(H,13,14)
InChIKeyGQVMKYRCKUBZQS-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.89
Rot. Bonds5

About 4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid

4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 80583992) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID80583992
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCC2CCCS2)c[nH]1
InChIInChI=1S/C10H14N2O4S2/c13-10(14)9-4-8(6-11-9)18(15,16)12-5-7-2-1-3-17-7/h4,6-7,11-12H,1-3,5H2,(H,13,14)
InChIKeyGQVMKYRCKUBZQS-UHFFFAOYSA-N
XLogP0.89
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,1-dioxothiolan-2-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81039629
4-[(1,1-dioxothiolan-3-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61057312
4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61482761
4-(3-pyrrolidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43362200
4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61167038
3-fluoro-4-(thiolan-2-ylmethylsulfamoyl)benzoic acid
CID 80583993
2,4-dichloro-5-(thiolan-2-ylmethylsulfamoyl)benzoic acid
CID 80583828
4-(2-methylsulfanylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43525958
4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61009733
4-bromo-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80613183
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780760
4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65034109

Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid (CID 80583992) is 4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCC2CCCS2)c[nH]1.
What is the InChIKey of 4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is GQVMKYRCKUBZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c13-10(14)9-4-8(6-11-9)18(15,16)12-5-7-2-1-3-17-7/h4,6-7,11-12H,1-3,5H2,(H,13,14).
What are the key properties of 4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-2-ylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 80583992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).