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

C12H22N2O5S — CID 43099011

IUPAC4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(S(=O)(=O)N2CCCCC2C)C1
InChIInChI=1S/C12H22N2O5S/c1-9-5-3-4-6-13(9)20(17,18)14-8-10(19-2)7-11(14)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyCQDZZNFFXYNQKV-UHFFFAOYSA-N
MW306.38 g/mol
LogP0.28
Rot. Bonds4

About 4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid

4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 43099011) has the molecular formula C12H22N2O5S and a molecular weight of 306.38 g/mol. Its IUPAC name is 4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID43099011
Molecular FormulaC12H22N2O5S
Molecular Weight306.38 g/mol
Exact Mass306.12
IUPAC Name4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(S(=O)(=O)N2CCCCC2C)C1
InChIInChI=1S/C12H22N2O5S/c1-9-5-3-4-6-13(9)20(17,18)14-8-10(19-2)7-11(14)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyCQDZZNFFXYNQKV-UHFFFAOYSA-N
XLogP0.28
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782
1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 105360699
4-methoxy-1-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid
CID 43210342
4-methoxy-1-[methyl(propan-2-yl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 54947196
5-methyl-1-(2-methylpyrrolidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 122105979
1-(1,1-dioxothian-4-yl)sulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 62085649
1-(tert-butylsulfamoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 114805391
4-methoxy-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-2-carboxylic acid
CID 114462039
4-methoxy-1-(piperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61180946
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 28784096

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid (CID 43099011) is 4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(S(=O)(=O)N2CCCCC2C)C1.
What is the InChIKey of 4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is CQDZZNFFXYNQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5S/c1-9-5-3-4-6-13(9)20(17,18)14-8-10(19-2)7-11(14)12(15)16/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid?
4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 306.38 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43099011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).