methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate

C11H19NO6S — CID 78953815

IUPACmethyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate
SMILESCCOC(=O)CS(=O)(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C11H19NO6S/c1-3-18-10(13)8-19(15,16)12-7-5-4-6-9(12)11(14)17-2/h9H,3-8H2,1-2H3
InChIKeyDSPNSHRDZFBDAU-UHFFFAOYSA-N
MW293.34 g/mol
LogP-0.09
Rot. Bonds5

About methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate

methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate (PubChem CID 78953815) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate
PubChem CID78953815
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Namemethyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate
SMILESCCOC(=O)CS(=O)(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C11H19NO6S/c1-3-18-10(13)8-19(15,16)12-7-5-4-6-9(12)11(14)17-2/h9H,3-8H2,1-2H3
InChIKeyDSPNSHRDZFBDAU-UHFFFAOYSA-N
XLogP-0.09
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R)-1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79830884
methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79005471
ethyl 2-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylacetate
CID 115312338
ethyl 2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]sulfonylacetate
CID 79535733
methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate
CID 78954390
methyl (2R)-1-(3-methylbutylsulfonyl)piperidine-2-carboxylate
CID 79830883
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637
methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
CID 79033025
4-(2-methoxycarbonylpiperidin-1-yl)sulfonylbutanoic acid
CID 54876199
3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid
CID 43648308
(2S)-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 61359148
methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate
CID 79830606

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate (CID 78953815) is methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate is CCOC(=O)CS(=O)(=O)N1CCCCC1C(=O)OC.
What is the InChIKey of methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate?
The InChIKey is DSPNSHRDZFBDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-3-18-10(13)8-19(15,16)12-7-5-4-6-9(12)11(14)17-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate?
methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate has a molecular weight of 293.34 g/mol, XLogP of -0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 78953815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).