4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid

C12H18N2O4S — CID 43208784

IUPAC4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
SMILESCC1CCCC(C)N1S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C12H18N2O4S/c1-8-4-3-5-9(2)14(8)19(17,18)10-6-11(12(15)16)13-7-10/h6-9,13H,3-5H2,1-2H3,(H,15,16)
InChIKeyFYRIOMZGZIGDKW-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.66
Rot. Bonds3

About 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid

4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid (PubChem CID 43208784) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
PubChem CID43208784
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
SMILESCC1CCCC(C)N1S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C12H18N2O4S/c1-8-4-3-5-9(2)14(8)19(17,18)10-6-11(12(15)16)13-7-10/h6-9,13H,3-5H2,1-2H3,(H,15,16)
InChIKeyFYRIOMZGZIGDKW-UHFFFAOYSA-N
XLogP1.66
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 43440229
4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 28740525
3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64606339
N-[[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine
CID 104969117
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 43109587
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 102882974
4-[cycloheptyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43613838
4-(2,6-dimethylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 63616973
4-(2-methoxycarbonylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 60952265
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
4-(4-acetylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 29034568

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid (CID 43208784) is 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid is CC1CCCC(C)N1S(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is FYRIOMZGZIGDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-8-4-3-5-9(2)14(8)19(17,18)10-6-11(12(15)16)13-7-10/h6-9,13H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 286.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43208784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).