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

C12H24N2S2 — CID 136896889

IUPAC4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine
SMILESCSCCCCC/N=C1/NC(C)(C)CCS1
InChIInChI=1S/C12H24N2S2/c1-12(2)7-10-16-11(14-12)13-8-5-4-6-9-15-3/h4-10H2,1-3H3,(H,13,14)
InChIKeyIMWRUMHPVJEWPM-UHFFFAOYSA-N
MW260.47 g/mol
LogP3.38
Rot. Bonds6

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

4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine (PubChem CID 136896889) has the molecular formula C12H24N2S2 and a molecular weight of 260.47 g/mol. Its IUPAC name is 4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine
PubChem CID136896889
Molecular FormulaC12H24N2S2
Molecular Weight260.47 g/mol
Exact Mass260.14
IUPAC Name4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine
SMILESCSCCCCC/N=C1/NC(C)(C)CCS1
InChIInChI=1S/C12H24N2S2/c1-12(2)7-10-16-11(14-12)13-8-5-4-6-9-15-3/h4-10H2,1-3H3,(H,13,14)
InChIKeyIMWRUMHPVJEWPM-UHFFFAOYSA-N
XLogP3.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-hexyl-4-methyl-1,3-thiazinan-2-imine
CID 136757061
N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984895
N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136964207
N-[2-(4-chlorophenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984898
4,6-dimethyl-N-(6-methylsulfanylhexyl)-1,3-thiazinan-2-imine
CID 136723694
4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136984957
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-(3,4-dimethoxyphenyl)ethyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984810
4,4-dimethyl-N-(2-piperidin-1-ylpropyl)-1,3-thiazinan-2-imine
CID 136984964
4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazinan-2-imine
CID 136985048
4-[(4-ethyl-4-methyl-1,3-thiazinan-2-ylidene)amino]butanamide
CID 136757079

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine (CID 136896889) is 4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine is CSCCCCC/N=C1/NC(C)(C)CCS1.
What is the InChIKey of 4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine?
The InChIKey is IMWRUMHPVJEWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S2/c1-12(2)7-10-16-11(14-12)13-8-5-4-6-9-15-3/h4-10H2,1-3H3,(H,13,14).
What are the key properties of 4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine?
4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine has a molecular weight of 260.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(5-methylsulfanylpentyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136896889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).