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

C14H20N2OS — CID 137001860

IUPAC4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\Cc2ccc(OC)cc2)N1
InChIInChI=1S/C14H20N2OS/c1-3-12-8-9-18-14(16-12)15-10-11-4-6-13(17-2)7-5-11/h4-7,12H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyJIDOMZNGRKYYPN-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.06
Rot. Bonds4

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

4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine (PubChem CID 137001860) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine
PubChem CID137001860
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\Cc2ccc(OC)cc2)N1
InChIInChI=1S/C14H20N2OS/c1-3-12-8-9-18-14(16-12)15-10-11-4-6-13(17-2)7-5-11/h4-7,12H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyJIDOMZNGRKYYPN-UHFFFAOYSA-N
XLogP3.06
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.06
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-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazolidin-2-imine
CID 135934581
N-[(4-methoxyphenyl)methyl]-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135454497
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethyl-1,3-thiazolidin-2-imine
CID 136933962
4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819417
2-[(4-methoxyphenyl)methyl]azetidine
CID 71756117
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2-[(4-methoxyphenyl)methylimino]-1,3-thiazolidin-4-one
CID 177376640
4-ethyl-2-(4-methoxyphenyl)-1,3-thiazolidine
CID 66228420
(2S)-2-ethyl-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 131025344
ethyl 4-[2-[(4-methoxyphenyl)methylimino]-3,6-dihydro-1,3,4-thiadiazin-5-yl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 135672733
N-benzyl-2-(4-methoxyphenyl)ethanimine
CID 71336415

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine (CID 137001860) is 4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine is CCC1CCS/C(=N\Cc2ccc(OC)cc2)N1.
What is the InChIKey of 4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is JIDOMZNGRKYYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-12-8-9-18-14(16-12)15-10-11-4-6-13(17-2)7-5-11/h4-7,12H,3,8-10H2,1-2H3,(H,15,16).
What are the key properties of 4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine?
4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 264.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 137001860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).