ethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate

C12H24N2O5S — CID 51075372

IUPACethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H24N2O5S/c1-4-18-12(15)6-5-7-13-20(16,17)14-8-10(2)19-11(3)9-14/h10-11,13H,4-9H2,1-3H3
InChIKeyRDYODPGLQDARCE-UHFFFAOYSA-N
MW308.40 g/mol
LogP0.27
Rot. Bonds7

About ethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate

ethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate (PubChem CID 51075372) has the molecular formula C12H24N2O5S and a molecular weight of 308.40 g/mol. Its IUPAC name is ethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate
PubChem CID51075372
Molecular FormulaC12H24N2O5S
Molecular Weight308.40 g/mol
Exact Mass308.14
IUPAC Nameethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate
SMILESCCOC(=O)CCCNS(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C12H24N2O5S/c1-4-18-12(15)6-5-7-13-20(16,17)14-8-10(2)19-11(3)9-14/h10-11,13H,4-9H2,1-3H3
InChIKeyRDYODPGLQDARCE-UHFFFAOYSA-N
XLogP0.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate?
The IUPAC name of ethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate (CID 51075372) is ethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate.
What is the SMILES notation for ethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate?
The canonical SMILES for ethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate is CCOC(=O)CCCNS(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of ethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate?
The InChIKey is RDYODPGLQDARCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S/c1-4-18-12(15)6-5-7-13-20(16,17)14-8-10(2)19-11(3)9-14/h10-11,13H,4-9H2,1-3H3.
What are the key properties of ethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate?
ethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate has a molecular weight of 308.40 g/mol, XLogP of 0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonylamino]butanoate is sourced from PubChem (CID 51075372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).