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

C14H26N2O2S — CID 106251488

IUPAC5,5-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCC2(OC)CCOC2)SC1
InChIInChI=1S/C14H26N2O2S/c1-4-13(5-2)8-15-12(19-11-13)16-9-14(17-3)6-7-18-10-14/h4-11H2,1-3H3,(H,15,16)
InChIKeyIJQBONWJGMQPTG-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.29
Rot. Bonds5

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

5,5-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106251488) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 5,5-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106251488
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name5,5-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCC2(OC)CCOC2)SC1
InChIInChI=1S/C14H26N2O2S/c1-4-13(5-2)8-15-12(19-11-13)16-9-14(17-3)6-7-18-10-14/h4-11H2,1-3H3,(H,15,16)
InChIKeyIJQBONWJGMQPTG-UHFFFAOYSA-N
XLogP2.29
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine (CID 106251488) is 5,5-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(NCC2(OC)CCOC2)SC1.
What is the InChIKey of 5,5-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is IJQBONWJGMQPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-4-13(5-2)8-15-12(19-11-13)16-9-14(17-3)6-7-18-10-14/h4-11H2,1-3H3,(H,15,16).
What are the key properties of 5,5-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 286.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106251488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).