ethyl 2-(morpholin-4-ylsulfonylamino)propanoate

C9H18N2O5S — CID 54960452

IUPACethyl 2-(morpholin-4-ylsulfonylamino)propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O5S/c1-3-16-9(12)8(2)10-17(13,14)11-4-6-15-7-5-11/h8,10H,3-7H2,1-2H3
InChIKeyZVECOJRQLXQNCR-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.90
Rot. Bonds5

About ethyl 2-(morpholin-4-ylsulfonylamino)propanoate

ethyl 2-(morpholin-4-ylsulfonylamino)propanoate (PubChem CID 54960452) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 2-(morpholin-4-ylsulfonylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(morpholin-4-ylsulfonylamino)propanoate
PubChem CID54960452
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Nameethyl 2-(morpholin-4-ylsulfonylamino)propanoate
SMILESCCOC(=O)C(C)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O5S/c1-3-16-9(12)8(2)10-17(13,14)11-4-6-15-7-5-11/h8,10H,3-7H2,1-2H3
InChIKeyZVECOJRQLXQNCR-UHFFFAOYSA-N
XLogP-0.90
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(morpholin-4-ylsulfonylamino)propanoate?
The IUPAC name of ethyl 2-(morpholin-4-ylsulfonylamino)propanoate (CID 54960452) is ethyl 2-(morpholin-4-ylsulfonylamino)propanoate.
What is the SMILES notation for ethyl 2-(morpholin-4-ylsulfonylamino)propanoate?
The canonical SMILES for ethyl 2-(morpholin-4-ylsulfonylamino)propanoate is CCOC(=O)C(C)NS(=O)(=O)N1CCOCC1.
What is the InChIKey of ethyl 2-(morpholin-4-ylsulfonylamino)propanoate?
The InChIKey is ZVECOJRQLXQNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-3-16-9(12)8(2)10-17(13,14)11-4-6-15-7-5-11/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(morpholin-4-ylsulfonylamino)propanoate?
ethyl 2-(morpholin-4-ylsulfonylamino)propanoate has a molecular weight of 266.32 g/mol, XLogP of -0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(morpholin-4-ylsulfonylamino)propanoate is sourced from PubChem (CID 54960452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).