N-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine

C8H15N3S — CID 123654005

IUPACN-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine
SMILESC=C/N=C1\CN(SC)CCN1C
InChIInChI=1S/C8H15N3S/c1-4-9-8-7-11(12-3)6-5-10(8)2/h4H,1,5-7H2,2-3H3/b9-8+
InChIKeyIQVZVEIPZBAQMV-CMDGGOBGSA-N
MW185.30 g/mol
LogP1.05
Rot. Bonds2

About N-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine

N-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine (PubChem CID 123654005) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is N-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine.

Molecular Properties

Compound NameN-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine
PubChem CID123654005
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC NameN-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine
SMILESC=C/N=C1\CN(SC)CCN1C
InChIInChI=1S/C8H15N3S/c1-4-9-8-7-11(12-3)6-5-10(8)2/h4H,1,5-7H2,2-3H3/b9-8+
InChIKeyIQVZVEIPZBAQMV-CMDGGOBGSA-N
XLogP1.05
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,7-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-4-ium
CID 91370744
N-ethenyl-1,4-dimethylpiperazin-2-imine
CID 117626237
4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine
CID 123496694
(3-Ethenylimino-4-methylpiperazin-1-yl)-methylsulfanylmethanethiol
CID 123794753
4-[1-(disulfanyl)ethyl]-N-ethenyl-1-methylpiperazin-2-imine
CID 130347475
1-ethenyl-N,4-dimethylpiperazin-2-imine
CID 142164985
ethane;1-ethenyl-N,4-dimethylpiperazin-2-imine
CID 144720928
N-ethenyl-1-ethyl-4-methylpiperazin-2-imine
CID 144729341
1-ethenyl-N-ethyl-4-methylpiperazin-2-imine
CID 167303040
N,1-bis(ethenyl)-4-methylpiperazin-2-imine
CID 169924328
1-ethenyl-4-ethyl-N-methylpiperazin-2-imine
CID 176673066

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine?
The IUPAC name of N-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine (CID 123654005) is N-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine.
What is the SMILES notation for N-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine?
The canonical SMILES for N-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine is C=C/N=C1\CN(SC)CCN1C.
What is the InChIKey of N-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine?
The InChIKey is IQVZVEIPZBAQMV-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H15N3S/c1-4-9-8-7-11(12-3)6-5-10(8)2/h4H,1,5-7H2,2-3H3/b9-8+.
What are the key properties of N-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine?
N-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine has a molecular weight of 185.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine is sourced from PubChem (CID 123654005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).