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

C16H24N2S — CID 136848101

IUPAC4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine
SMILESCc1ccccc1C/N=C1/NC(C(C)(C)C)CCS1
InChIInChI=1S/C16H24N2S/c1-12-7-5-6-8-13(12)11-17-15-18-14(9-10-19-15)16(2,3)4/h5-8,14H,9-11H2,1-4H3,(H,17,18)
InChIKeyQXVSHJOLZUTKGD-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.99
Rot. Bonds2

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

4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136848101) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine
PubChem CID136848101
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine
SMILESCc1ccccc1C/N=C1/NC(C(C)(C)C)CCS1
InChIInChI=1S/C16H24N2S/c1-12-7-5-6-8-13(12)11-17-15-18-14(9-10-19-15)16(2,3)4/h5-8,14H,9-11H2,1-4H3,(H,17,18)
InChIKeyQXVSHJOLZUTKGD-UHFFFAOYSA-N
XLogP3.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine
CID 136993375
N-[(2-methylphenyl)methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746965
N-[(2-methylphenyl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136746966
4-tert-butyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3-thiazinan-2-imine
CID 136848400
4-tert-butyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
CID 136993393
4-tert-butyl-N-(4-methylpentyl)-1,3-thiazinan-2-imine
CID 136848255
4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136993429
1-[[(4-tert-butyl-1,3-thiazinan-2-ylidene)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 136848488
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
4-benzyl-N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidin-2-imine
CID 136981181
N-(naphthalen-1-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871766
4-ethyl-4-methyl-N-[2-(2-methylphenyl)ethyl]-1,3-thiazinan-2-imine
CID 136757300

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine (CID 136848101) is 4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine is Cc1ccccc1C/N=C1/NC(C(C)(C)C)CCS1.
What is the InChIKey of 4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is QXVSHJOLZUTKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-12-7-5-6-8-13(12)11-17-15-18-14(9-10-19-15)16(2,3)4/h5-8,14H,9-11H2,1-4H3,(H,17,18).
What are the key properties of 4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine?
4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 276.45 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2-methylphenyl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).