N-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine

C13H25N3S — CID 136992200

IUPACN-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(/N=C2/NC(C)(C)CCS2)CCN1C
InChIInChI=1S/C13H25N3S/c1-10-9-11(5-7-16(10)4)14-12-15-13(2,3)6-8-17-12/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyOJWYMDISUGXHIS-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.33
Rot. Bonds1

About N-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine

N-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136992200) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine
PubChem CID136992200
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(/N=C2/NC(C)(C)CCS2)CCN1C
InChIInChI=1S/C13H25N3S/c1-10-9-11(5-7-16(10)4)14-12-15-13(2,3)6-8-17-12/h10-11H,5-9H2,1-4H3,(H,14,15)
InChIKeyOJWYMDISUGXHIS-UHFFFAOYSA-N
XLogP2.33
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine (CID 136992200) is N-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine is CC1CC(/N=C2/NC(C)(C)CCS2)CCN1C.
What is the InChIKey of N-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is OJWYMDISUGXHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-10-9-11(5-7-16(10)4)14-12-15-13(2,3)6-8-17-12/h10-11H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine?
N-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 255.43 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylpiperidin-4-yl)-4,4-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136992200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).