ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate

C13H22N2O3S — CID 104913277

IUPACethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate
SMILESCCOC(=O)C1CSCCN1C(=O)[C@H]1CCCCN1
InChIInChI=1S/C13H22N2O3S/c1-2-18-13(17)11-9-19-8-7-15(11)12(16)10-5-3-4-6-14-10/h10-11,14H,2-9H2,1H3/t10-,11?/m1/s1
InChIKeyASYLIIBWKBHJKR-NFJWQWPMSA-N
MW286.40 g/mol
LogP0.64
Rot. Bonds3

About ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate

ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate (PubChem CID 104913277) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate
PubChem CID104913277
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Nameethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate
SMILESCCOC(=O)C1CSCCN1C(=O)[C@H]1CCCCN1
InChIInChI=1S/C13H22N2O3S/c1-2-18-13(17)11-9-19-8-7-15(11)12(16)10-5-3-4-6-14-10/h10-11,14H,2-9H2,1H3/t10-,11?/m1/s1
InChIKeyASYLIIBWKBHJKR-NFJWQWPMSA-N
XLogP0.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(4-methylpiperidine-2-carbonyl)thiomorpholine-3-carboxylate
CID 114423337
ethyl 4-(2-aminocyclohexanecarbonyl)thiomorpholine-3-carboxylate
CID 64824562
ethyl 4-(5-oxopiperazine-2-carbonyl)thiomorpholine-3-carboxylate
CID 107435028
ethyl 4-acetylthiomorpholine-3-carboxylate
CID 60718017
4-(2-ethoxycarbonylpyrrolidine-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 82902421
(3-ethylsulfonylthiomorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 104901244
ethyl 4-(2-chloroacetyl)thiomorpholine-3-carboxylate
CID 60719108
ethyl 4-(3-amino-2,2-dimethylpropanoyl)thiomorpholine-3-carboxylate
CID 115426380
ethyl 4-(2-ethoxyacetyl)thiomorpholine-3-carboxylate
CID 60737192
ethyl 4-(2-amino-3,3-dimethylbutanoyl)thiomorpholine-3-carboxylate
CID 76895081
ethyl 4-(3-chloro-2-methylpropanoyl)thiomorpholine-3-carboxylate
CID 55110480
ethyl 4-[(2S)-2-amino-3,3-dimethylbutanoyl]thiomorpholine-3-carboxylate
CID 61165038

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate?
The IUPAC name of ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate (CID 104913277) is ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate.
What is the SMILES notation for ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate?
The canonical SMILES for ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate is CCOC(=O)C1CSCCN1C(=O)[C@H]1CCCCN1.
What is the InChIKey of ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate?
The InChIKey is ASYLIIBWKBHJKR-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-2-18-13(17)11-9-19-8-7-15(11)12(16)10-5-3-4-6-14-10/h10-11,14H,2-9H2,1H3/t10-,11?/m1/s1.
What are the key properties of ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate?
ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate has a molecular weight of 286.40 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2R)-piperidine-2-carbonyl]thiomorpholine-3-carboxylate is sourced from PubChem (CID 104913277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).