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

C13H26N4S — CID 136933344

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CC2CN(C)CCN2C)N1
InChIInChI=1S/C13H26N4S/c1-4-11-5-8-18-13(15-11)14-9-12-10-16(2)6-7-17(12)3/h11-12H,4-10H2,1-3H3,(H,14,15)
InChIKeyOONNCLRWLVOJFX-UHFFFAOYSA-N
MW270.45 g/mol
LogP1.09
Rot. Bonds3

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

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazinan-2-imine (PubChem CID 136933344) 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-ethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazinan-2-imine
PubChem CID136933344
Molecular FormulaC13H26N4S
Molecular Weight270.45 g/mol
Exact Mass270.19
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazinan-2-imine
SMILESCCC1CCS/C(=N\CC2CN(C)CCN2C)N1
InChIInChI=1S/C13H26N4S/c1-4-11-5-8-18-13(15-11)14-9-12-10-16(2)6-7-17(12)3/h11-12H,4-10H2,1-3H3,(H,14,15)
InChIKeyOONNCLRWLVOJFX-UHFFFAOYSA-N
XLogP1.09
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871806
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136985047
4-ethyl-N-[(4-methylcyclohexyl)methyl]-1,3-thiazinan-2-imine
CID 136933327
4-ethyl-N-(2-methylsulfonylethyl)-1,3-thiazinan-2-imine
CID 136933241
4-ethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazinan-2-imine
CID 136819417
4-ethyl-N-[(1-methylsulfanylcyclopropyl)methyl]-1,3-thiazinan-2-imine
CID 136762623
1-[(4-ethyl-1,3-thiazinan-2-ylidene)amino]-N,N,2-trimethylpropan-2-amine
CID 136933263
N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine
CID 137017283
4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine
CID 137004296
4-ethyl-N-(2-methylsulfinylethyl)-1,3-thiazinan-2-imine
CID 136933434
4-ethyl-N-(2-methylsulfanylpropyl)-1,3-thiazinan-2-imine
CID 136933429
4-ethyl-N-(3-propoxypropyl)-1,3-thiazinan-2-imine
CID 136933402

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazinan-2-imine (CID 136933344) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazinan-2-imine is CCC1CCS/C(=N\CC2CN(C)CCN2C)N1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazinan-2-imine?
The InChIKey is OONNCLRWLVOJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4S/c1-4-11-5-8-18-13(15-11)14-9-12-10-16(2)6-7-17(12)3/h11-12H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazinan-2-imine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazinan-2-imine has a molecular weight of 270.45 g/mol, XLogP of 1.09, 3 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-ethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136933344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).