4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine

C15H28N2S — CID 136993429

IUPAC4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine
SMILESCCC1(C/N=C2/NC(C(C)(C)C)CCS2)CCC1
InChIInChI=1S/C15H28N2S/c1-5-15(8-6-9-15)11-16-13-17-12(7-10-18-13)14(2,3)4/h12H,5-11H2,1-4H3,(H,16,17)
InChIKeyXSINWLZBOJERTJ-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.06
Rot. Bonds3

About 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine

4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136993429) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine
PubChem CID136993429
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC Name4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine
SMILESCCC1(C/N=C2/NC(C(C)(C)C)CCS2)CCC1
InChIInChI=1S/C15H28N2S/c1-5-15(8-6-9-15)11-16-13-17-12(7-10-18-13)14(2,3)4/h12H,5-11H2,1-4H3,(H,16,17)
InChIKeyXSINWLZBOJERTJ-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine (CID 136993429) is 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine is CCC1(C/N=C2/NC(C(C)(C)C)CCS2)CCC1.
What is the InChIKey of 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is XSINWLZBOJERTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-5-15(8-6-9-15)11-16-13-17-12(7-10-18-13)14(2,3)4/h12H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine?
4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 268.47 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136993429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).