methyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate

C11H19NO7S2 — CID 78926078

IUPACmethyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCO1
InChIInChI=1S/C11H19NO7S2/c1-18-11(13)10-8-12(4-5-19-10)21(16,17)9-2-6-20(14,15)7-3-9/h9-10H,2-8H2,1H3
InChIKeyVMGKKUKSHJZSEG-UHFFFAOYSA-N
MW341.41 g/mol
LogP-1.23
Rot. Bonds3

About methyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate

methyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate (PubChem CID 78926078) has the molecular formula C11H19NO7S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate
PubChem CID78926078
Molecular FormulaC11H19NO7S2
Molecular Weight341.41 g/mol
Exact Mass341.06
IUPAC Namemethyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate
SMILESCOC(=O)C1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCO1
InChIInChI=1S/C11H19NO7S2/c1-18-11(13)10-8-12(4-5-19-10)21(16,17)9-2-6-20(14,15)7-3-9/h9-10H,2-8H2,1H3
InChIKeyVMGKKUKSHJZSEG-UHFFFAOYSA-N
XLogP-1.23
TPSA107.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate?
The IUPAC name of methyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate (CID 78926078) is methyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate?
The canonical SMILES for methyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate is COC(=O)C1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CCO1.
What is the InChIKey of methyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate?
The InChIKey is VMGKKUKSHJZSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO7S2/c1-18-11(13)10-8-12(4-5-19-10)21(16,17)9-2-6-20(14,15)7-3-9/h9-10H,2-8H2,1H3.
What are the key properties of methyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate?
methyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate has a molecular weight of 341.41 g/mol, XLogP of -1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,1-dioxothian-4-yl)sulfonylmorpholine-2-carboxylate is sourced from PubChem (CID 78926078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).