4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid

C10H14N2O5S — CID 28740525

IUPAC4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCC(O)CC2)c[nH]1
InChIInChI=1S/C10H14N2O5S/c13-7-1-3-12(4-2-7)18(16,17)8-5-9(10(14)15)11-6-8/h5-7,11,13H,1-4H2,(H,14,15)
InChIKeyILUNUHRRCVVVHN-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.14
Rot. Bonds3

About 4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid

4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid (PubChem CID 28740525) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
PubChem CID28740525
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCC(O)CC2)c[nH]1
InChIInChI=1S/C10H14N2O5S/c13-7-1-3-12(4-2-7)18(16,17)8-5-9(10(14)15)11-6-8/h5-7,11,13H,1-4H2,(H,14,15)
InChIKeyILUNUHRRCVVVHN-UHFFFAOYSA-N
XLogP-0.14
TPSA110.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 43440229
4-(4-acetylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 29034568
4-[3-(diethylamino)pyrrolidin-1-yl]sulfonyl-1H-pyrrole-2-carboxylic acid
CID 63168236
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 43208784
4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 60952079
4-[(3-oxo-1,4-diazepan-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 65366054
[4-(4-phenylpiperidin-1-yl)sulfonyl-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 134006754
4-(2-ethylmorpholin-4-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 43562582
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 63014472
3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 16783100
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonyl-1H-pyrrol-2-yl)methanone
CID 18108104
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 107877559

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid (CID 28740525) is 4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)N2CCC(O)CC2)c[nH]1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is ILUNUHRRCVVVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c13-7-1-3-12(4-2-7)18(16,17)8-5-9(10(14)15)11-6-8/h5-7,11,13H,1-4H2,(H,14,15).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 28740525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).