ethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate

C11H21NO5S — CID 20543276

IUPACethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate
SMILESCCOC(=O)CS(=O)(=O)CCCN1CCOCC1
InChIInChI=1S/C11H21NO5S/c1-2-17-11(13)10-18(14,15)9-3-4-12-5-7-16-8-6-12/h2-10H2,1H3
InChIKeyZPJHUPLOBZZORE-UHFFFAOYSA-N
MW279.36 g/mol
LogP-0.31
Rot. Bonds7

About ethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate

ethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate (PubChem CID 20543276) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate
PubChem CID20543276
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Nameethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate
SMILESCCOC(=O)CS(=O)(=O)CCCN1CCOCC1
InChIInChI=1S/C11H21NO5S/c1-2-17-11(13)10-18(14,15)9-3-4-12-5-7-16-8-6-12/h2-10H2,1H3
InChIKeyZPJHUPLOBZZORE-UHFFFAOYSA-N
XLogP-0.31
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate?
The IUPAC name of ethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate (CID 20543276) is ethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate.
What is the SMILES notation for ethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate?
The canonical SMILES for ethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate is CCOC(=O)CS(=O)(=O)CCCN1CCOCC1.
What is the InChIKey of ethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate?
The InChIKey is ZPJHUPLOBZZORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-2-17-11(13)10-18(14,15)9-3-4-12-5-7-16-8-6-12/h2-10H2,1H3.
What are the key properties of ethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate?
ethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate has a molecular weight of 279.36 g/mol, XLogP of -0.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-morpholin-4-ylpropylsulfonyl)acetate is sourced from PubChem (CID 20543276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).