3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid

C11H14N2O4S — CID 104937269

IUPAC3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(S(=O)(=O)c2cccnc2)C1C(=O)O
InChIInChI=1S/C11H14N2O4S/c1-8-4-6-13(10(8)11(14)15)18(16,17)9-3-2-5-12-7-9/h2-3,5,7-8,10H,4,6H2,1H3,(H,14,15)
InChIKeyWARBORIXHAGHSF-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.57
Rot. Bonds3

About 3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid

3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid (PubChem CID 104937269) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid
PubChem CID104937269
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(S(=O)(=O)c2cccnc2)C1C(=O)O
InChIInChI=1S/C11H14N2O4S/c1-8-4-6-13(10(8)11(14)15)18(16,17)9-3-2-5-12-7-9/h2-3,5,7-8,10H,4,6H2,1H3,(H,14,15)
InChIKeyWARBORIXHAGHSF-UHFFFAOYSA-N
XLogP0.57
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid
CID 122083302
(3R,6R)-6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95663554
(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470516
methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
CID 49454499
1-(2-methoxyphenyl)sulfonyl-3-methylpyrrolidine-2-carboxylic acid
CID 104937236
5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid
CID 107435224
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrrolidine-2-carboxylic acid
CID 104937301
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
3-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]sulfonylpyridine
CID 99847176
3-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylpyridine
CID 71978636

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid (CID 104937269) is 3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid is CC1CCN(S(=O)(=O)c2cccnc2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is WARBORIXHAGHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-8-4-6-13(10(8)11(14)15)18(16,17)9-3-2-5-12-7-9/h2-3,5,7-8,10H,4,6H2,1H3,(H,14,15).
What are the key properties of 3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid?
3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104937269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).