1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid

C11H20N2O4S — CID 43210782

IUPAC1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCC1CCCCN1S(=O)(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O4S/c1-9-5-2-3-7-12(9)18(16,17)13-8-4-6-10(13)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyCLCVAKCDXVGRKG-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.65
Rot. Bonds3

About 1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid

1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 43210782) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID43210782
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCC1CCCCN1S(=O)(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O4S/c1-9-5-2-3-7-12(9)18(16,17)13-8-4-6-10(13)11(14)15/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyCLCVAKCDXVGRKG-UHFFFAOYSA-N
XLogP0.65
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43099011
(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 28784096
2-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine
CID 62671714
(2R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 55150411
5-methyl-1-(2-methylpyrrolidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 122105979
1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
CID 105360669
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
CID 61137595
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
[(4R)-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-thiazolidin-4-yl]-pyrrolidin-1-ylmethanone
CID 124812682
2,5-dimethyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine
CID 64979854

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid (CID 43210782) is 1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid is CC1CCCCN1S(=O)(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is CLCVAKCDXVGRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-9-5-2-3-7-12(9)18(16,17)13-8-4-6-10(13)11(14)15/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid?
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43210782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).