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

C16H32N2O2S — CID 79912448

IUPAC2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propyloxolan-3-amine
SMILESCCCNC1C(CN2CCS(=O)CC2)C(C)(C)OC1(C)C
InChIInChI=1S/C16H32N2O2S/c1-6-7-17-14-13(15(2,3)20-16(14,4)5)12-18-8-10-21(19)11-9-18/h13-14,17H,6-12H2,1-5H3
InChIKeyOCPRTTVMGORKPI-UHFFFAOYSA-N
MW316.51 g/mol
LogP1.62
Rot. Bonds5

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

2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propyloxolan-3-amine (PubChem CID 79912448) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propyloxolan-3-amine
PubChem CID79912448
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propyloxolan-3-amine
SMILESCCCNC1C(CN2CCS(=O)CC2)C(C)(C)OC1(C)C
InChIInChI=1S/C16H32N2O2S/c1-6-7-17-14-13(15(2,3)20-16(14,4)5)12-18-8-10-21(19)11-9-18/h13-14,17H,6-12H2,1-5H3
InChIKeyOCPRTTVMGORKPI-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 51.62
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]-N-propyloxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propyloxolan-3-amine (CID 79912448) is 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propyloxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propyloxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propyloxolan-3-amine is CCCNC1C(CN2CCS(=O)CC2)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propyloxolan-3-amine?
The InChIKey is OCPRTTVMGORKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-6-7-17-14-13(15(2,3)20-16(14,4)5)12-18-8-10-21(19)11-9-18/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propyloxolan-3-amine?
2,2,5,5-tetramethyl-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]-N-propyloxolan-3-amine has a molecular weight of 316.51 g/mol, XLogP of 1.62, 5 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]-N-propyloxolan-3-amine is sourced from PubChem (CID 79912448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).