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

C11H22N2OS — CID 106249642

IUPAC5,5-diethyl-N-(2-methoxyethyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCCOC)SC1
InChIInChI=1S/C11H22N2OS/c1-4-11(5-2)8-13-10(15-9-11)12-6-7-14-3/h4-9H2,1-3H3,(H,12,13)
InChIKeyWVQSQVQGPPKPMH-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.13
Rot. Bonds5

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

5,5-diethyl-N-(2-methoxyethyl)-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 106249642) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 5,5-diethyl-N-(2-methoxyethyl)-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-diethyl-N-(2-methoxyethyl)-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID106249642
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name5,5-diethyl-N-(2-methoxyethyl)-4,6-dihydro-1,3-thiazin-2-amine
SMILESCCC1(CC)CN=C(NCCOC)SC1
InChIInChI=1S/C11H22N2OS/c1-4-11(5-2)8-13-10(15-9-11)12-6-7-14-3/h4-9H2,1-3H3,(H,12,13)
InChIKeyWVQSQVQGPPKPMH-UHFFFAOYSA-N
XLogP2.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-N-(2-methoxyethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-diethyl-N-(2-methoxyethyl)-4,6-dihydro-1,3-thiazin-2-amine (CID 106249642) is 5,5-diethyl-N-(2-methoxyethyl)-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-diethyl-N-(2-methoxyethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-diethyl-N-(2-methoxyethyl)-4,6-dihydro-1,3-thiazin-2-amine is CCC1(CC)CN=C(NCCOC)SC1.
What is the InChIKey of 5,5-diethyl-N-(2-methoxyethyl)-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is WVQSQVQGPPKPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-4-11(5-2)8-13-10(15-9-11)12-6-7-14-3/h4-9H2,1-3H3,(H,12,13).
What are the key properties of 5,5-diethyl-N-(2-methoxyethyl)-4,6-dihydro-1,3-thiazin-2-amine?
5,5-diethyl-N-(2-methoxyethyl)-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 230.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-N-(2-methoxyethyl)-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 106249642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).