ethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate

C10H19NO8S2 — CID 10088913

IUPACethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate
SMILESCCOC(=O)C(CS(=O)(=O)N1CCOCC1)OS(C)(=O)=O
InChIInChI=1S/C10H19NO8S2/c1-3-18-10(12)9(19-20(2,13)14)8-21(15,16)11-4-6-17-7-5-11/h9H,3-8H2,1-2H3
InChIKeyKAIYCPXVLNTAKX-UHFFFAOYSA-N
MW345.40 g/mol
LogP-1.44
Rot. Bonds7

About ethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate

ethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate (PubChem CID 10088913) has the molecular formula C10H19NO8S2 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate.

Molecular Properties

Compound Nameethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate
PubChem CID10088913
Molecular FormulaC10H19NO8S2
Molecular Weight345.40 g/mol
Exact Mass345.06
IUPAC Nameethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate
SMILESCCOC(=O)C(CS(=O)(=O)N1CCOCC1)OS(C)(=O)=O
InChIInChI=1S/C10H19NO8S2/c1-3-18-10(12)9(19-20(2,13)14)8-21(15,16)11-4-6-17-7-5-11/h9H,3-8H2,1-2H3
InChIKeyKAIYCPXVLNTAKX-UHFFFAOYSA-N
XLogP-1.44
TPSA116.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-1.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate?
The IUPAC name of ethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate (CID 10088913) is ethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate.
What is the SMILES notation for ethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate?
The canonical SMILES for ethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate is CCOC(=O)C(CS(=O)(=O)N1CCOCC1)OS(C)(=O)=O.
What is the InChIKey of ethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate?
The InChIKey is KAIYCPXVLNTAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO8S2/c1-3-18-10(12)9(19-20(2,13)14)8-21(15,16)11-4-6-17-7-5-11/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate?
ethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate has a molecular weight of 345.40 g/mol, XLogP of -1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylsulfonyloxy-3-morpholin-4-ylsulfonylpropanoate is sourced from PubChem (CID 10088913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).