4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine

C12H24N2O2S — CID 136987648

IUPAC4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CCOCCOC)N1
InChIInChI=1S/C12H24N2O2S/c1-4-12(2)5-10-17-11(14-12)13-6-7-16-9-8-15-3/h4-10H2,1-3H3,(H,13,14)
InChIKeyMQRPQAMUWDYYHL-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.90
Rot. Bonds7

About 4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine

4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine (PubChem CID 136987648) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine
PubChem CID136987648
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CCOCCOC)N1
InChIInChI=1S/C12H24N2O2S/c1-4-12(2)5-10-17-11(14-12)13-6-7-16-9-8-15-3/h4-10H2,1-3H3,(H,13,14)
InChIKeyMQRPQAMUWDYYHL-UHFFFAOYSA-N
XLogP1.90
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine (CID 136987648) is 4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\CCOCCOC)N1.
What is the InChIKey of 4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine?
The InChIKey is MQRPQAMUWDYYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-4-12(2)5-10-17-11(14-12)13-6-7-16-9-8-15-3/h4-10H2,1-3H3,(H,13,14).
What are the key properties of 4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine?
4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine has a molecular weight of 260.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136987648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).