methyl 4-butylsulfonylmorpholine-2-carboxylate

C10H19NO5S — CID 78927085

IUPACmethyl 4-butylsulfonylmorpholine-2-carboxylate
SMILESCCCCS(=O)(=O)N1CCOC(C(=O)OC)C1
InChIInChI=1S/C10H19NO5S/c1-3-4-7-17(13,14)11-5-6-16-9(8-11)10(12)15-2/h9H,3-8H2,1-2H3
InChIKeyKJYQWBOENHQMFP-UHFFFAOYSA-N
MW265.33 g/mol
LogP-0.01
Rot. Bonds5

About methyl 4-butylsulfonylmorpholine-2-carboxylate

methyl 4-butylsulfonylmorpholine-2-carboxylate (PubChem CID 78927085) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 4-butylsulfonylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-butylsulfonylmorpholine-2-carboxylate
PubChem CID78927085
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Namemethyl 4-butylsulfonylmorpholine-2-carboxylate
SMILESCCCCS(=O)(=O)N1CCOC(C(=O)OC)C1
InChIInChI=1S/C10H19NO5S/c1-3-4-7-17(13,14)11-5-6-16-9(8-11)10(12)15-2/h9H,3-8H2,1-2H3
InChIKeyKJYQWBOENHQMFP-UHFFFAOYSA-N
XLogP-0.01
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-butylsulfonylmorpholine-2-carboxylate?
The IUPAC name of methyl 4-butylsulfonylmorpholine-2-carboxylate (CID 78927085) is methyl 4-butylsulfonylmorpholine-2-carboxylate.
What is the SMILES notation for methyl 4-butylsulfonylmorpholine-2-carboxylate?
The canonical SMILES for methyl 4-butylsulfonylmorpholine-2-carboxylate is CCCCS(=O)(=O)N1CCOC(C(=O)OC)C1.
What is the InChIKey of methyl 4-butylsulfonylmorpholine-2-carboxylate?
The InChIKey is KJYQWBOENHQMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-3-4-7-17(13,14)11-5-6-16-9(8-11)10(12)15-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 4-butylsulfonylmorpholine-2-carboxylate?
methyl 4-butylsulfonylmorpholine-2-carboxylate has a molecular weight of 265.33 g/mol, XLogP of -0.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-butylsulfonylmorpholine-2-carboxylate is sourced from PubChem (CID 78927085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).