4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C13H24N2OS — CID 114115270

IUPAC4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CSC(NC(C)C2CCOCC2)=NC1C
InChIInChI=1S/C13H24N2OS/c1-9-8-17-13(14-10(9)2)15-11(3)12-4-6-16-7-5-12/h9-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyWAOFIGFJLKYDCO-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.52
Rot. Bonds2

About 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 114115270) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID114115270
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CSC(NC(C)C2CCOCC2)=NC1C
InChIInChI=1S/C13H24N2OS/c1-9-8-17-13(14-10(9)2)15-11(3)12-4-6-16-7-5-12/h9-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyWAOFIGFJLKYDCO-UHFFFAOYSA-N
XLogP2.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 114115270) is 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CSC(NC(C)C2CCOCC2)=NC1C.
What is the InChIKey of 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is WAOFIGFJLKYDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-9-8-17-13(14-10(9)2)15-11(3)12-4-6-16-7-5-12/h9-12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[1-(oxan-4-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 114115270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).