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

C11H20N2S2 — CID 136762623

IUPAC4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CC2(SC)CC2)N1
InChIInChI=1S/C11H20N2S2/c1-3-9-4-7-15-10(13-9)12-8-11(14-2)5-6-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyKGBARYNEFGKKME-UHFFFAOYSA-N
MW244.43 g/mol
LogP2.74
Rot. Bonds4

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

4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136762623) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is 4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine
PubChem CID136762623
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC Name4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CC2(SC)CC2)N1
InChIInChI=1S/C11H20N2S2/c1-3-9-4-7-15-10(13-9)12-8-11(14-2)5-6-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyKGBARYNEFGKKME-UHFFFAOYSA-N
XLogP2.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 52.74
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

4-ethyl-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazinan-2-imine
CID 136723626
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848547
N-[(1-methylsulfanylcyclopentyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848549
4-ethyl-N-[(4-ethylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136933276
4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine
CID 136933429
4-ethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136933327
4-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136933426
4-ethyl-N-octyl-1,3-thiazinan-2-imine
CID 136933398
N-(2,3-dimethylbutyl)-4-ethyl-1,3-thiazinan-2-imine
CID 136933357
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136762665
N-[(1-methylsulfanylcyclobutyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136993578
1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine
CID 136933263

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine (CID 136762623) is 4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine is CCC1CCS/C(=N\CC2(SC)CC2)N1.
What is the InChIKey of 4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is KGBARYNEFGKKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-3-9-4-7-15-10(13-9)12-8-11(14-2)5-6-11/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine?
4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 244.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136762623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).