4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine

C13H25N3S — CID 136992166

IUPAC4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine
SMILESCN1CCCCC1C/N=C1/NC(C)(C)CCS1
InChIInChI=1S/C13H25N3S/c1-13(2)7-9-17-12(15-13)14-10-11-6-4-5-8-16(11)3/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyXNBDGWXJPNNECE-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.33
Rot. Bonds2

About 4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine

4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136992166) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine
PubChem CID136992166
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine
SMILESCN1CCCCC1C/N=C1/NC(C)(C)CCS1
InChIInChI=1S/C13H25N3S/c1-13(2)7-9-17-12(15-13)14-10-11-6-4-5-8-16(11)3/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyXNBDGWXJPNNECE-UHFFFAOYSA-N
XLogP2.33
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.33
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-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136985047
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
N-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136992200
N-cyclohexyl-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984791
4,4-dimethyl-N-(1-propylpiperidin-4-yl)-1,3-thiazinan-2-imine
CID 136984936
N-[(1-methylpyrrolidin-2-yl)methyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747468
N-[(4-ethylmorpholin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 137000888
N-(2,2-dimethylpropyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136984895
2-[(1-methylpyrrolidin-2-yl)methylimino]imidazolidine-4,5-dione
CID 136731515
4-ethyl-4-methyl-N-(thian-2-ylmethyl)-1,3-thiazinan-2-imine
CID 136757314
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine (CID 136992166) is 4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine is CN1CCCCC1C/N=C1/NC(C)(C)CCS1.
What is the InChIKey of 4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is XNBDGWXJPNNECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-13(2)7-9-17-12(15-13)14-10-11-6-4-5-8-16(11)3/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine?
4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 255.43 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136992166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).