methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate

C11H21NO4S — CID 78993684

IUPACmethyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
SMILESCCS(=O)(=O)CCN1CCCCC1C(=O)OC
InChIInChI=1S/C11H21NO4S/c1-3-17(14,15)9-8-12-7-5-4-6-10(12)11(13)16-2/h10H,3-9H2,1-2H3
InChIKeyXQGMVKLRKARJLK-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.45
Rot. Bonds5

About methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate

methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate (PubChem CID 78993684) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
PubChem CID78993684
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Namemethyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
SMILESCCS(=O)(=O)CCN1CCCCC1C(=O)OC
InChIInChI=1S/C11H21NO4S/c1-3-17(14,15)9-8-12-7-5-4-6-10(12)11(13)16-2/h10H,3-9H2,1-2H3
InChIKeyXQGMVKLRKARJLK-UHFFFAOYSA-N
XLogP0.45
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
CID 79833648
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280659
methyl 1-(2-methylsulfonylethyl)azetidine-2-carboxylate
CID 112581234
methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
CID 103737090
methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
methyl 1-(2-sulfamoylethyl)azetidine-2-carboxylate
CID 112581200
methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate
CID 80711675
methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
CID 121475348
methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115537915
methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115536916
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate (CID 78993684) is methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate is CCS(=O)(=O)CCN1CCCCC1C(=O)OC.
What is the InChIKey of methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate?
The InChIKey is XQGMVKLRKARJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-17(14,15)9-8-12-7-5-4-6-10(12)11(13)16-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate?
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate has a molecular weight of 263.36 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate is sourced from PubChem (CID 78993684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).