4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid

C11H16N2O5S — CID 66004509

IUPAC4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)NCC2CC(O)C2)cc1C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-13-6-9(4-10(13)11(15)16)19(17,18)12-5-7-2-8(14)3-7/h4,6-8,12,14H,2-3,5H2,1H3,(H,15,16)
InChIKeyUKGCTMCSVKATGL-UHFFFAOYSA-N
MW288.33 g/mol
LogP-0.23
Rot. Bonds5

About 4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid

4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 66004509) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is 4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID66004509
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Name4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCn1cc(S(=O)(=O)NCC2CC(O)C2)cc1C(=O)O
InChIInChI=1S/C11H16N2O5S/c1-13-6-9(4-10(13)11(15)16)19(17,18)12-5-7-2-8(14)3-7/h4,6-8,12,14H,2-3,5H2,1H3,(H,15,16)
InChIKeyUKGCTMCSVKATGL-UHFFFAOYSA-N
XLogP-0.23
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 66004509) is 4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid is Cn1cc(S(=O)(=O)NCC2CC(O)C2)cc1C(=O)O.
What is the InChIKey of 4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is UKGCTMCSVKATGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c1-13-6-9(4-10(13)11(15)16)19(17,18)12-5-7-2-8(14)3-7/h4,6-8,12,14H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclobutyl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 66004509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).