1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid

C13H18N2O5S — CID 43644315

IUPAC1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCC(O)CC2)cn1C1CC1
InChIInChI=1S/C13H18N2O5S/c16-10-3-5-14(6-4-10)21(19,20)11-7-12(13(17)18)15(8-11)9-1-2-9/h7-10,16H,1-6H2,(H,17,18)
InChIKeyNJBZLEFWXRCDSF-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.67
Rot. Bonds4

About 1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid

1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid (PubChem CID 43644315) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
PubChem CID43644315
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCC(O)CC2)cn1C1CC1
InChIInChI=1S/C13H18N2O5S/c16-10-3-5-14(6-4-10)21(19,20)11-7-12(13(17)18)15(8-11)9-1-2-9/h7-10,16H,1-6H2,(H,17,18)
InChIKeyNJBZLEFWXRCDSF-UHFFFAOYSA-N
XLogP0.67
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid
CID 43644291
4-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-1-cyclopropylpyrrole-2-carboxylic acid
CID 62061697
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-(4-cyclopropylpiperazin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 60951652
4-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-propan-2-ylpyrrole-2-carboxylic acid
CID 62941698
1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid
CID 114612783
4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 28740525
3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 16783100
1-ethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid
CID 43644162
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-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid (CID 43644315) is 1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)N2CCC(O)CC2)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid?
The InChIKey is NJBZLEFWXRCDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c16-10-3-5-14(6-4-10)21(19,20)11-7-12(13(17)18)15(8-11)9-1-2-9/h7-10,16H,1-6H2,(H,17,18).
What are the key properties of 1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid?
1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid has a molecular weight of 314.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(4-hydroxypiperidin-1-yl)sulfonylpyrrole-2-carboxylic acid is sourced from PubChem (CID 43644315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).