methyl 1-(2-ethylsulfonylethyl)piperidine-4-carboxylate

C11H21NO4S — CID 59216614

IUPACmethyl 1-(2-ethylsulfonylethyl)piperidine-4-carboxylate
SMILESCCS(=O)(=O)CCN1CCC(C(=O)OC)CC1
InChIInChI=1S/C11H21NO4S/c1-3-17(14,15)9-8-12-6-4-10(5-7-12)11(13)16-2/h10H,3-9H2,1-2H3
InChIKeySZDDLVRWPBGDJH-UHFFFAOYSA-N
MW263.36 g/mol
LogP0.31
Rot. Bonds5

About methyl 1-(2-ethylsulfonylethyl)piperidine-4-carboxylate

methyl 1-(2-ethylsulfonylethyl)piperidine-4-carboxylate (PubChem CID 59216614) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is methyl 1-(2-ethylsulfonylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethylsulfonylethyl)piperidine-4-carboxylate
PubChem CID59216614
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Namemethyl 1-(2-ethylsulfonylethyl)piperidine-4-carboxylate
SMILESCCS(=O)(=O)CCN1CCC(C(=O)OC)CC1
InChIInChI=1S/C11H21NO4S/c1-3-17(14,15)9-8-12-6-4-10(5-7-12)11(13)16-2/h10H,3-9H2,1-2H3
InChIKeySZDDLVRWPBGDJH-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethylsulfonylethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-ethylsulfonylethyl)piperidine-4-carboxylate (CID 59216614) is methyl 1-(2-ethylsulfonylethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-ethylsulfonylethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-ethylsulfonylethyl)piperidine-4-carboxylate is CCS(=O)(=O)CCN1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(2-ethylsulfonylethyl)piperidine-4-carboxylate?
The InChIKey is SZDDLVRWPBGDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-3-17(14,15)9-8-12-6-4-10(5-7-12)11(13)16-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 1-(2-ethylsulfonylethyl)piperidine-4-carboxylate?
methyl 1-(2-ethylsulfonylethyl)piperidine-4-carboxylate has a molecular weight of 263.36 g/mol, XLogP of 0.31, 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-4-carboxylate is sourced from PubChem (CID 59216614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).