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

C13H26N2S2 — CID 136964207

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCCC(CC)(C/N=C1/NC(C)(C)CCS1)SC
InChIInChI=1S/C13H26N2S2/c1-6-13(7-2,16-5)10-14-11-15-12(3,4)8-9-17-11/h6-10H2,1-5H3,(H,14,15)
InChIKeyKOWLIPQSBLTJBV-UHFFFAOYSA-N
MW274.50 g/mol
LogP3.77
Rot. Bonds5

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

N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136964207) has the molecular formula C13H26N2S2 and a molecular weight of 274.50 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine
PubChem CID136964207
Molecular FormulaC13H26N2S2
Molecular Weight274.50 g/mol
Exact Mass274.15
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCCC(CC)(C/N=C1/NC(C)(C)CCS1)SC
InChIInChI=1S/C13H26N2S2/c1-6-13(7-2,16-5)10-14-11-15-12(3,4)8-9-17-11/h6-10H2,1-5H3,(H,14,15)
InChIKeyKOWLIPQSBLTJBV-UHFFFAOYSA-N
XLogP3.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 53.77
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-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984895
N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762648
N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762643
N-(2,2-dimethylpropyl)-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757088
4,4-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1,3-thiazolidin-2-imine
CID 137011012
4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine
CID 136762638
4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine
CID 136896889
2-[(4,4-dimethyl-1,3-thiazinan-2-ylidene)amino]-N-ethylacetamide
CID 136984877
4,4-dimethyl-N-[(4-methylthiophen-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136985103
N-(2-ethyl-2-methylsulfanylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136762649
N-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984950
4,4-dimethyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136984964

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine (CID 136964207) is N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine is CCC(CC)(C/N=C1/NC(C)(C)CCS1)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is KOWLIPQSBLTJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S2/c1-6-13(7-2,16-5)10-14-11-15-12(3,4)8-9-17-11/h6-10H2,1-5H3,(H,14,15).
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine?
N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 274.50 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136964207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).