2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate

C11H22N2O2S — CID 75504321

IUPAC2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate
SMILESCCC1CN(CCOC(=O)N(C)C)CCS1
InChIInChI=1S/C11H22N2O2S/c1-4-10-9-13(6-8-16-10)5-7-15-11(14)12(2)3/h10H,4-9H2,1-3H3
InChIKeyYGOGDMUBVIFPFJ-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.51
Rot. Bonds4

About 2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate

2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate (PubChem CID 75504321) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate
PubChem CID75504321
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC Name2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate
SMILESCCC1CN(CCOC(=O)N(C)C)CCS1
InChIInChI=1S/C11H22N2O2S/c1-4-10-9-13(6-8-16-10)5-7-15-11(14)12(2)3/h10H,4-9H2,1-3H3
InChIKeyYGOGDMUBVIFPFJ-UHFFFAOYSA-N
XLogP1.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N,N-dimethyl-2-(3-morpholin-4-ylpropylsulfanyl)propanamide
CID 67949341
Propyl 4-methylsulfanylpiperidine-1-carboxylate
CID 123521440
Ethyl 4-methylsulfanylpiperidine-1-carboxylate
CID 123969145
Propyl 4-tert-butylsulfanylpiperidine-1-carboxylate
CID 138468978
Ethyl 4-acetylsulfanylpiperidine-1-carboxylate
CID 145750664
Ethyl 2,6-dimethylthiomorpholine-4-carboxylate
CID 64592610
3-[3-(2,2-Dimethylthiomorpholin-4-yl)propyl]-1,3-oxazolidin-2-one
CID 72102270
2-[(2R)-2-ethylthiomorpholin-4-yl]ethyl N,N-dimethylcarbamate
CID 97823576
2-[(2S)-2-ethylthiomorpholin-4-yl]ethyl N,N-dimethylcarbamate
CID 97823577
Ethyl 2,3-dimethylthiomorpholine-4-carboxylate
CID 115634510
Ethyl 2-ethylthiomorpholine-4-carboxylate
CID 115661676
Propan-2-yl 2-ethylthiomorpholine-4-carboxylate
CID 116658045

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate?
The IUPAC name of 2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate (CID 75504321) is 2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate.
What is the SMILES notation for 2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate?
The canonical SMILES for 2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate is CCC1CN(CCOC(=O)N(C)C)CCS1.
What is the InChIKey of 2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate?
The InChIKey is YGOGDMUBVIFPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-4-10-9-13(6-8-16-10)5-7-15-11(14)12(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate?
2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate has a molecular weight of 246.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylthiomorpholin-4-yl)ethyl N,N-dimethylcarbamate is sourced from PubChem (CID 75504321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).