4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine

C10H20N2S2 — CID 136933429

IUPAC4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CC(C)SC)N1
InChIInChI=1S/C10H20N2S2/c1-4-9-5-6-14-10(12-9)11-7-8(2)13-3/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyFQQVGWFAGRHKJO-UHFFFAOYSA-N
MW232.42 g/mol
LogP2.60
Rot. Bonds4

About 4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine

4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine (PubChem CID 136933429) has the molecular formula C10H20N2S2 and a molecular weight of 232.42 g/mol. Its IUPAC name is 4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine
PubChem CID136933429
Molecular FormulaC10H20N2S2
Molecular Weight232.42 g/mol
Exact Mass232.11
IUPAC Name4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CC(C)SC)N1
InChIInChI=1S/C10H20N2S2/c1-4-9-5-6-14-10(12-9)11-7-8(2)13-3/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyFQQVGWFAGRHKJO-UHFFFAOYSA-N
XLogP2.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylbutyl)-4-ethyl-1,3-thiazinan-2-imine
CID 136933357
4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136762623
4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136933276
4-ethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136933327
4-ethyl-N-octyl-1,3-thiazinan-2-imine
CID 136933398
4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819417
1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine
CID 136933263
4-ethyl-N-(1,3-thiazol-4-ylmethyl)-1,3-thiazinan-2-imine
CID 136933339
4-ethyl-N-(2-methylsulfonylethyl)-1,3-thiazinan-2-imine
CID 136933241
4-ethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 136933434
4-ethyl-N-(3-propoxypropyl)-1,3-thiazinan-2-imine
CID 136933402
4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine
CID 136723626

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine (CID 136933429) is 4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine is CCC1CCS/C(=N\CC(C)SC)N1.
What is the InChIKey of 4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine?
The InChIKey is FQQVGWFAGRHKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2S2/c1-4-9-5-6-14-10(12-9)11-7-8(2)13-3/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine?
4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine has a molecular weight of 232.42 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136933429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).