4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one

C14H25NO4S — CID 79933123

IUPAC4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCN(CC1C(=O)C(C)(C)OC1(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H25NO4S/c1-13(2)11(12(16)14(3,4)19-13)8-15(5)10-6-7-20(17,18)9-10/h10-11H,6-9H2,1-5H3
InChIKeyLUTOHOZCPHXJRM-UHFFFAOYSA-N
MW303.42 g/mol
LogP0.88
Rot. Bonds3

About 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one

4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one (PubChem CID 79933123) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one.

Molecular Properties

Compound Name4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one
PubChem CID79933123
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one
SMILESCN(CC1C(=O)C(C)(C)OC1(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H25NO4S/c1-13(2)11(12(16)14(3,4)19-13)8-15(5)10-6-7-20(17,18)9-10/h10-11H,6-9H2,1-5H3
InChIKeyLUTOHOZCPHXJRM-UHFFFAOYSA-N
XLogP0.88
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The IUPAC name of 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one (CID 79933123) is 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one.
What is the SMILES notation for 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The canonical SMILES for 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one is CN(CC1C(=O)C(C)(C)OC1(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
The InChIKey is LUTOHOZCPHXJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c1-13(2)11(12(16)14(3,4)19-13)8-15(5)10-6-7-20(17,18)9-10/h10-11H,6-9H2,1-5H3.
What are the key properties of 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one?
4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one has a molecular weight of 303.42 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-2,2,5,5-tetramethyloxolan-3-one is sourced from PubChem (CID 79933123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).