1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid

C13H21N3O4S — CID 61044270

IUPAC1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
SMILESCC(CNS(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1)N(C)C
InChIInChI=1S/C13H21N3O4S/c1-9(15(2)3)7-14-21(19,20)11-6-12(13(17)18)16(8-11)10-4-5-10/h6,8-10,14H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyOJNYGMVAMKZCBS-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.75
Rot. Bonds7

About 1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid

1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid (PubChem CID 61044270) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
PubChem CID61044270
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Name1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
SMILESCC(CNS(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1)N(C)C
InChIInChI=1S/C13H21N3O4S/c1-9(15(2)3)7-14-21(19,20)11-6-12(13(17)18)16(8-11)10-4-5-10/h6,8-10,14H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyOJNYGMVAMKZCBS-UHFFFAOYSA-N
XLogP0.75
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 102695723
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-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644618
1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644604
1-cyclopropyl-4-[1-cyclopropylethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644665
1-cyclopropyl-4-[(2-methylpropan-2-yl)oxysulfamoyl]pyrrole-2-carboxylic acid
CID 82720159
1-cyclopropyl-4-(pyrimidin-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644408
1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644623
1-cyclopropyl-4-[ethyl(propyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644503
1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 60920665
1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 61403195

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid (CID 61044270) is 1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid is CC(CNS(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1)N(C)C.
What is the InChIKey of 1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid?
The InChIKey is OJNYGMVAMKZCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9(15(2)3)7-14-21(19,20)11-6-12(13(17)18)16(8-11)10-4-5-10/h6,8-10,14H,4-5,7H2,1-3H3,(H,17,18).
What are the key properties of 1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid?
1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid has a molecular weight of 315.40 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 61044270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).