N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine

C12H23N3OS — CID 106251352

IUPACN-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine
SMILESCCC1(CC)CN=C(NN2CCOCC2)SC1
InChIInChI=1S/C12H23N3OS/c1-3-12(4-2)9-13-11(17-10-12)14-15-5-7-16-8-6-15/h3-10H2,1-2H3,(H,13,14)
InChIKeyASWSBMWHYLMPAQ-UHFFFAOYSA-N
MW257.40 g/mol
LogP1.73
Rot. Bonds3

About N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine

N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine (PubChem CID 106251352) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine
PubChem CID106251352
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine
SMILESCCC1(CC)CN=C(NN2CCOCC2)SC1
InChIInChI=1S/C12H23N3OS/c1-3-12(4-2)9-13-11(17-10-12)14-15-5-7-16-8-6-15/h3-10H2,1-2H3,(H,13,14)
InChIKeyASWSBMWHYLMPAQ-UHFFFAOYSA-N
XLogP1.73
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine?
The IUPAC name of N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine (CID 106251352) is N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine.
What is the SMILES notation for N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine?
The canonical SMILES for N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine is CCC1(CC)CN=C(NN2CCOCC2)SC1.
What is the InChIKey of N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine?
The InChIKey is ASWSBMWHYLMPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-3-12(4-2)9-13-11(17-10-12)14-15-5-7-16-8-6-15/h3-10H2,1-2H3,(H,13,14).
What are the key properties of N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine?
N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine has a molecular weight of 257.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-diethyl-4,6-dihydro-1,3-thiazin-2-yl)morpholin-4-amine is sourced from PubChem (CID 106251352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).