4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine

C11H20N2S2 — CID 136948867

IUPAC4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CC2CCCS2)NC1C
InChIInChI=1S/C11H20N2S2/c1-8-7-15-11(13-9(8)2)12-6-10-4-3-5-14-10/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyLSLYGELGNHZDDE-UHFFFAOYSA-N
MW244.43 g/mol
LogP2.60
Rot. Bonds2

About 4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine

4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine (PubChem CID 136948867) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is 4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine
PubChem CID136948867
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC Name4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine
SMILESCC1CS/C(=N\CC2CCCS2)NC1C
InChIInChI=1S/C11H20N2S2/c1-8-7-15-11(13-9(8)2)12-6-10-4-3-5-14-10/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKeyLSLYGELGNHZDDE-UHFFFAOYSA-N
XLogP2.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
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-ethylbutyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136960712
4,5-dimethyl-N-[(1-methylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136879360
N-[(1,1-dioxothiolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 137002756
N-(2,2-difluoropropyl)-4,5-dimethyl-1,3-thiazinan-2-imine
CID 164654580
4,5-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazinan-2-imine
CID 136948828
4,5-dimethyl-N-(2-phenylpropyl)-1,3-thiazinan-2-imine
CID 136948902
N-[(2-ethyloxolan-3-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 137004943
4,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136948806
N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazinan-2-imine
CID 136948835
4-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]-N,N-dimethylbutan-1-amine
CID 136948772
4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine
CID 136757314
N-[2-[(4,5-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-methylpropan-2-amine
CID 136948792

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine (CID 136948867) is 4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine is CC1CS/C(=N\CC2CCCS2)NC1C.
What is the InChIKey of 4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine?
The InChIKey is LSLYGELGNHZDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-8-7-15-11(13-9(8)2)12-6-10-4-3-5-14-10/h8-10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine?
4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine has a molecular weight of 244.43 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(thiolan-2-ylmethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136948867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).