N-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

C12H22N2O2S — CID 104763293

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCOC1(CNC2=NCC(C)(C)CS2)CCOC1
InChIInChI=1S/C12H22N2O2S/c1-11(2)6-13-10(17-9-11)14-7-12(15-3)4-5-16-8-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyQGHNBHLHIVEUIC-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.51
Rot. Bonds3

About N-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine

N-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 104763293) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID104763293
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
SMILESCOC1(CNC2=NCC(C)(C)CS2)CCOC1
InChIInChI=1S/C12H22N2O2S/c1-11(2)6-13-10(17-9-11)14-7-12(15-3)4-5-16-8-12/h4-9H2,1-3H3,(H,13,14)
InChIKeyQGHNBHLHIVEUIC-UHFFFAOYSA-N
XLogP1.51
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine (CID 104763293) is N-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is COC1(CNC2=NCC(C)(C)CS2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is QGHNBHLHIVEUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-11(2)6-13-10(17-9-11)14-7-12(15-3)4-5-16-8-12/h4-9H2,1-3H3,(H,13,14).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 258.39 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 104763293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).