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

C11H21N3OS — CID 79071671

IUPAC5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCC2CN(C)CCO2)SC1
InChIInChI=1S/C11H21N3OS/c1-9-5-12-11(16-8-9)13-6-10-7-14(2)3-4-15-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyKXGCBHIPYCMABV-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.65
Rot. Bonds2

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

5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 79071671) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID79071671
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCC2CN(C)CCO2)SC1
InChIInChI=1S/C11H21N3OS/c1-9-5-12-11(16-8-9)13-6-10-7-14(2)3-4-15-10/h9-10H,3-8H2,1-2H3,(H,12,13)
InChIKeyKXGCBHIPYCMABV-UHFFFAOYSA-N
XLogP0.65
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 79071671) is 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCC2CN(C)CCO2)SC1.
What is the InChIKey of 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is KXGCBHIPYCMABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-9-5-12-11(16-8-9)13-6-10-7-14(2)3-4-15-10/h9-10H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 243.38 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methylmorpholin-2-yl)methyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 79071671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).