ethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate

C11H22N2O5S — CID 54898532

IUPACethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H22N2O5S/c1-3-5-13(10-11(14)18-4-2)19(15,16)12-6-8-17-9-7-12/h3-10H2,1-2H3
InChIKeyMGYYRVONRDUIRG-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.16
Rot. Bonds7

About ethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate

ethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate (PubChem CID 54898532) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is ethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate
PubChem CID54898532
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Nameethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H22N2O5S/c1-3-5-13(10-11(14)18-4-2)19(15,16)12-6-8-17-9-7-12/h3-10H2,1-2H3
InChIKeyMGYYRVONRDUIRG-UHFFFAOYSA-N
XLogP-0.16
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate?
The IUPAC name of ethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate (CID 54898532) is ethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate.
What is the SMILES notation for ethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate?
The canonical SMILES for ethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate is CCCN(CC(=O)OCC)S(=O)(=O)N1CCOCC1.
What is the InChIKey of ethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate?
The InChIKey is MGYYRVONRDUIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-3-5-13(10-11(14)18-4-2)19(15,16)12-6-8-17-9-7-12/h3-10H2,1-2H3.
What are the key properties of ethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate?
ethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate has a molecular weight of 294.37 g/mol, XLogP of -0.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[morpholin-4-ylsulfonyl(propyl)amino]acetate is sourced from PubChem (CID 54898532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).