4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid

C11H20N2O4S — CID 63123862

IUPAC4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C11H20N2O4S/c1-11(10(14)15)4-8-13(9-5-11)18(16,17)12-6-2-3-7-12/h2-9H2,1H3,(H,14,15)
InChIKeyVEOMOOWVWNKDGB-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.51
Rot. Bonds3

About 4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid

4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid (PubChem CID 63123862) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid
PubChem CID63123862
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C11H20N2O4S/c1-11(10(14)15)4-8-13(9-5-11)18(16,17)12-6-2-3-7-12/h2-9H2,1H3,(H,14,15)
InChIKeyVEOMOOWVWNKDGB-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxylic acid
CID 62936890
4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol
CID 107407041
1-(azepan-1-ylsulfonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595620
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid
CID 107323968
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63145667
1-(4-hydroxy-4-methylazepan-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 107404034
1-butylsulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123967
1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine
CID 115304810
4-methyl-1-methylidenephosphanylpiperidine-4-carboxylic acid
CID 143699099
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidine-4-carboxylic acid
CID 63123861
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 55177374

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid (CID 63123862) is 4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of 4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid?
The InChIKey is VEOMOOWVWNKDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-11(10(14)15)4-8-13(9-5-11)18(16,17)12-6-2-3-7-12/h2-9H2,1H3,(H,14,15).
What are the key properties of 4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid?
4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).