ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate

C11H21NO4S2 — CID 66378086

IUPACethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
SMILESCCOC(=O)C(C)N1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C11H21NO4S2/c1-4-16-11(13)9(3)12-6-7-17-8-10(12)18(14,15)5-2/h9-10H,4-8H2,1-3H3
InChIKeyWVWZKTLCZZNZEE-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.75
Rot. Bonds5

About ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate

ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate (PubChem CID 66378086) has the molecular formula C11H21NO4S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
PubChem CID66378086
Molecular FormulaC11H21NO4S2
Molecular Weight295.43 g/mol
Exact Mass295.09
IUPAC Nameethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
SMILESCCOC(=O)C(C)N1CCSCC1S(=O)(=O)CC
InChIInChI=1S/C11H21NO4S2/c1-4-16-11(13)9(3)12-6-7-17-8-10(12)18(14,15)5-2/h9-10H,4-8H2,1-3H3
InChIKeyWVWZKTLCZZNZEE-UHFFFAOYSA-N
XLogP0.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethylsulfonylthiomorpholin-4-yl)propanehydrazide
CID 66377938
2-(3-ethylsulfonylthiomorpholin-4-yl)-1-piperazin-1-ylpropan-1-one
CID 66381961
methyl 3-amino-2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate
CID 66381764
2-(3-ethylsulfonylthiomorpholin-4-yl)butanethioamide
CID 66384091
3-ethyl-2-(3-ethylsulfonylthiomorpholin-4-yl)pentan-1-amine
CID 66381953
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)butan-1-one
CID 66377754
(2S)-2-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-3-methylpentan-1-one
CID 66377946
3-amino-1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methylpropan-1-one
CID 66378329
1-(3-ethylsulfonylthiomorpholin-4-yl)-1-phenylpropan-2-amine
CID 66382331
2-(3-ethylsulfonylthiomorpholin-4-yl)nonan-1-amine
CID 66383124
4-(3-ethylsulfonylthiomorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 66376758
2-(3-ethylsulfonylthiomorpholin-4-yl)-3-methoxy-N-propylpropan-1-amine
CID 103226872

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate?
The IUPAC name of ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate (CID 66378086) is ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate.
What is the SMILES notation for ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate?
The canonical SMILES for ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate is CCOC(=O)C(C)N1CCSCC1S(=O)(=O)CC.
What is the InChIKey of ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate?
The InChIKey is WVWZKTLCZZNZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S2/c1-4-16-11(13)9(3)12-6-7-17-8-10(12)18(14,15)5-2/h9-10H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate?
ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate has a molecular weight of 295.43 g/mol, XLogP of 0.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethylsulfonylthiomorpholin-4-yl)propanoate is sourced from PubChem (CID 66378086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).