methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate

C12H22N2O4S — CID 43423409

IUPACmethyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C12H22N2O4S/c1-10-5-8-13(9-6-10)19(16,17)14-7-3-4-11(14)12(15)18-2/h10-11H,3-9H2,1-2H3
InChIKeyZIECRNRPURPAPR-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.60
Rot. Bonds3

About methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate

methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate (PubChem CID 43423409) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate
PubChem CID43423409
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Namemethyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C12H22N2O4S/c1-10-5-8-13(9-6-10)19(16,17)14-7-3-4-11(14)12(15)18-2/h10-11H,3-9H2,1-2H3
InChIKeyZIECRNRPURPAPR-UHFFFAOYSA-N
XLogP0.60
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate
CID 79830606
methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate
CID 79829978
methyl 1-(4-oxopiperidin-1-yl)sulfonylpiperidine-2-carboxylate
CID 22615687
(2S)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 28784096
[1-(4-methylpiperidin-1-yl)sulfonylpyrrolidin-2-yl]methanol
CID 61409018
methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
CID 79033025
methyl 4-(azepan-1-ylsulfonyl)morpholine-3-carboxylate
CID 115672152
methyl 1-(4-acetylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 3866930
[1-(4-methylpiperidin-1-yl)sulfonylazepan-2-yl]methanol
CID 116636735
methyl 1-(benzenesulfonyl)pyrrolidine-2-carboxylate
CID 610805
methyl 1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-2-carboxylate
CID 43423586
methyl 1-(azepan-1-ylsulfonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 115971403

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate (CID 43423409) is methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate is COC(=O)C1CCCN1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate?
The InChIKey is ZIECRNRPURPAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-10-5-8-13(9-6-10)19(16,17)14-7-3-4-11(14)12(15)18-2/h10-11H,3-9H2,1-2H3.
What are the key properties of methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate?
methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate has a molecular weight of 290.38 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylate is sourced from PubChem (CID 43423409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).