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

C13H26N4S — CID 136985047

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCN1CCN(C)C(C/N=C2/NC(C)(C)CCS2)C1
InChIInChI=1S/C13H26N4S/c1-13(2)5-8-18-12(15-13)14-9-11-10-16(3)6-7-17(11)4/h11H,5-10H2,1-4H3,(H,14,15)
InChIKeyXGABGRARLAFRKE-UHFFFAOYSA-N
MW270.45 g/mol
LogP1.09
Rot. Bonds2

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

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136985047) has the molecular formula C13H26N4S and a molecular weight of 270.45 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
PubChem CID136985047
Molecular FormulaC13H26N4S
Molecular Weight270.45 g/mol
Exact Mass270.19
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
SMILESCN1CCN(C)C(C/N=C2/NC(C)(C)CCS2)C1
InChIInChI=1S/C13H26N4S/c1-13(2)5-8-18-12(15-13)14-9-11-10-16(3)6-7-17(11)4/h11H,5-10H2,1-4H3,(H,14,15)
InChIKeyXGABGRARLAFRKE-UHFFFAOYSA-N
XLogP1.09
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.45
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine (CID 136985047) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine is CN1CCN(C)C(C/N=C2/NC(C)(C)CCS2)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is XGABGRARLAFRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4S/c1-13(2)5-8-18-12(15-13)14-9-11-10-16(3)6-7-17(11)4/h11H,5-10H2,1-4H3,(H,14,15).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 270.45 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136985047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).