1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid

C13H18N2O4S — CID 43644291

IUPAC1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCCCC2)cn1C1CC1
InChIInChI=1S/C13H18N2O4S/c16-13(17)12-8-11(9-15(12)10-4-5-10)20(18,19)14-6-2-1-3-7-14/h8-10H,1-7H2,(H,16,17)
InChIKeyXCRVCMGRFPEUFF-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.70
Rot. Bonds4

About 1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid

1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid (PubChem CID 43644291) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid
PubChem CID43644291
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCCCC2)cn1C1CC1
InChIInChI=1S/C13H18N2O4S/c16-13(17)12-8-11(9-15(12)10-4-5-10)20(18,19)14-6-2-1-3-7-14/h8-10H,1-7H2,(H,16,17)
InChIKeyXCRVCMGRFPEUFF-UHFFFAOYSA-N
XLogP1.70
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 43644315
1-cyclopropyl-4-(3-hydroxy-3-methylazetidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 107215627
1-cyclopropyl-4-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 103355705
4-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-1-cyclopropylpyrrole-2-carboxylic acid
CID 62061697
1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid
CID 114612783
4-piperidin-1-ylsulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 43644293
1-propan-2-yl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylic acid
CID 43644167
4-(4-cyclopropylpiperazin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 60951652
1-methyl-4-(4-methylazepan-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 63623741
1-cyclopropyl-4-(pyrimidin-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644408
1-cyclopropyl-4-[(2-methylpropan-2-yl)oxysulfamoyl]pyrrole-2-carboxylic acid
CID 82720159
1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644604

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid (CID 43644291) is 1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)N2CCCCC2)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid?
The InChIKey is XCRVCMGRFPEUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c16-13(17)12-8-11(9-15(12)10-4-5-10)20(18,19)14-6-2-1-3-7-14/h8-10H,1-7H2,(H,16,17).
What are the key properties of 1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid?
1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43644291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).