ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate

C11H19NO5S — CID 61340322

IUPACethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CS(C)(=O)=O)C1
InChIInChI=1S/C11H19NO5S/c1-3-17-11(14)9-5-4-6-12(7-9)10(13)8-18(2,15)16/h9H,3-8H2,1-2H3
InChIKeyRGMHLMWKRGVOCH-UHFFFAOYSA-N
MW277.34 g/mol
LogP-0.17
Rot. Bonds4

About ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate

ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate (PubChem CID 61340322) has the molecular formula C11H19NO5S and a molecular weight of 277.34 g/mol. Its IUPAC name is ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate
PubChem CID61340322
Molecular FormulaC11H19NO5S
Molecular Weight277.34 g/mol
Exact Mass277.10
IUPAC Nameethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CS(C)(=O)=O)C1
InChIInChI=1S/C11H19NO5S/c1-3-17-11(14)9-5-4-6-12(7-9)10(13)8-18(2,15)16/h9H,3-8H2,1-2H3
InChIKeyRGMHLMWKRGVOCH-UHFFFAOYSA-N
XLogP-0.17
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl (3R)-1-but-3-enoylpiperidine-3-carboxylate
CID 115538775
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 60662012
ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
CID 110678236
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
CID 81344595
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate (CID 61340322) is ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CS(C)(=O)=O)C1.
What is the InChIKey of ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate?
The InChIKey is RGMHLMWKRGVOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5S/c1-3-17-11(14)9-5-4-6-12(7-9)10(13)8-18(2,15)16/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate?
ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate has a molecular weight of 277.34 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate is sourced from PubChem (CID 61340322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).