2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine

C13H26N2O2S — CID 79933113

IUPAC2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine
SMILESCC1(C)OC(C)(C)C(CN2CCS(=O)CC2)C1N
InChIInChI=1S/C13H26N2O2S/c1-12(2)10(11(14)13(3,4)17-12)9-15-5-7-18(16)8-6-15/h10-11H,5-9,14H2,1-4H3
InChIKeyHTOZTGDTKFPOHR-UHFFFAOYSA-N
MW274.43 g/mol
LogP0.58
Rot. Bonds2

About 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine

2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine (PubChem CID 79933113) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine
PubChem CID79933113
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine
SMILESCC1(C)OC(C)(C)C(CN2CCS(=O)CC2)C1N
InChIInChI=1S/C13H26N2O2S/c1-12(2)10(11(14)13(3,4)17-12)9-15-5-7-18(16)8-6-15/h10-11H,5-9,14H2,1-4H3
InChIKeyHTOZTGDTKFPOHR-UHFFFAOYSA-N
XLogP0.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine (CID 79933113) is 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine is CC1(C)OC(C)(C)C(CN2CCS(=O)CC2)C1N.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine?
The InChIKey is HTOZTGDTKFPOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-12(2)10(11(14)13(3,4)17-12)9-15-5-7-18(16)8-6-15/h10-11H,5-9,14H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine?
2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine has a molecular weight of 274.43 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 79933113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).