4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine

C9H18N2OS2 — CID 137011044

IUPAC4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCS(C)=O)N1
InChIInChI=1S/C9H18N2OS2/c1-7-6-8(2)13-9(11-7)10-4-5-14(3)12/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyUXOOMGGPDLHBNP-UHFFFAOYSA-N
MW234.39 g/mol
LogP1.22
Rot. Bonds3

About 4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine

4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine (PubChem CID 137011044) has the molecular formula C9H18N2OS2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
PubChem CID137011044
Molecular FormulaC9H18N2OS2
Molecular Weight234.39 g/mol
Exact Mass234.09
IUPAC Name4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCS(C)=O)N1
InChIInChI=1S/C9H18N2OS2/c1-7-6-8(2)13-9(11-7)10-4-5-14(3)12/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyUXOOMGGPDLHBNP-UHFFFAOYSA-N
XLogP1.22
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 51.22
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-(3,3-difluoropropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 137216588
N-(3-methoxypropyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755273
4,6-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazinan-2-imine
CID 136755260
4,6-dimethyl-N-(7-methyloctyl)-1,3-thiazinan-2-imine
CID 136701837
4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine
CID 136723694
4,6-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
CID 136755275
N-cyclopropyl-3-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136981461
N-(cyclobutylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755277
N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine
CID 136666999
N-(cyclohexylmethyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136755282
4,6-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-thiazinan-2-imine
CID 136981204
methyl 2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]acetate
CID 136755252

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine (CID 137011044) is 4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\CCS(C)=O)N1.
What is the InChIKey of 4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine?
The InChIKey is UXOOMGGPDLHBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS2/c1-7-6-8(2)13-9(11-7)10-4-5-14(3)12/h7-8H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine?
4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine has a molecular weight of 234.39 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 137011044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).