1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid

C11H16N2O5S — CID 43644604

IUPAC1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCCO)cn1C1CC1
InChIInChI=1S/C11H16N2O5S/c14-5-1-4-12-19(17,18)9-6-10(11(15)16)13(7-9)8-2-3-8/h6-8,12,14H,1-5H2,(H,15,16)
InChIKeyTWPMIJHXPYTVHU-UHFFFAOYSA-N
MW288.33 g/mol
LogP0.18
Rot. Bonds7

About 1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid

1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid (PubChem CID 43644604) has the molecular formula C11H16N2O5S and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid
PubChem CID43644604
Molecular FormulaC11H16N2O5S
Molecular Weight288.33 g/mol
Exact Mass288.08
IUPAC Name1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCCO)cn1C1CC1
InChIInChI=1S/C11H16N2O5S/c14-5-1-4-12-19(17,18)9-6-10(11(15)16)13(7-9)8-2-3-8/h6-8,12,14H,1-5H2,(H,15,16)
InChIKeyTWPMIJHXPYTVHU-UHFFFAOYSA-N
XLogP0.18
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid
CID 106168338
1-cyclopropyl-4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 43644658
1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61044270
1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 102695723
1-cyclopropyl-4-(pyrimidin-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644408
1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 60920665
1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 61403195
1-cyclopropyl-4-[(2-methylpropan-2-yl)oxysulfamoyl]pyrrole-2-carboxylic acid
CID 82720159
1-cyclopropyl-4-(1,3-thiazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 63830799
1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644618
1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 60999303
1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644623

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid (CID 43644604) is 1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCCCO)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid?
The InChIKey is TWPMIJHXPYTVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c14-5-1-4-12-19(17,18)9-6-10(11(15)16)13(7-9)8-2-3-8/h6-8,12,14H,1-5H2,(H,15,16).
What are the key properties of 1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid?
1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 43644604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).