4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine

C7H13N3S2 — CID 123496694

IUPAC4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine
SMILESC=C/N=C1\CN(SS)CCN1C
InChIInChI=1S/C7H13N3S2/c1-3-8-7-6-10(12-11)5-4-9(7)2/h3,11H,1,4-6H2,2H3/b8-7+
InChIKeyYJZIXLVYAUOKTJ-BQYQJAHWSA-N
MW203.34 g/mol
LogP1.27
Rot. Bonds2

About 4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine

4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine (PubChem CID 123496694) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is 4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine.

Molecular Properties

Compound Name4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine
PubChem CID123496694
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC Name4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine
SMILESC=C/N=C1\CN(SS)CCN1C
InChIInChI=1S/C7H13N3S2/c1-3-8-7-6-10(12-11)5-4-9(7)2/h3,11H,1,4-6H2,2H3/b8-7+
InChIKeyYJZIXLVYAUOKTJ-BQYQJAHWSA-N
XLogP1.27
TPSA18.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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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
N-ethenyl-1-methyl-4-methylsulfanylpiperazin-2-imine
CID 123654005
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 4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine?
The IUPAC name of 4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine (CID 123496694) is 4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine.
What is the SMILES notation for 4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine?
The canonical SMILES for 4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine is C=C/N=C1\CN(SS)CCN1C.
What is the InChIKey of 4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine?
The InChIKey is YJZIXLVYAUOKTJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-3-8-7-6-10(12-11)5-4-9(7)2/h3,11H,1,4-6H2,2H3/b8-7+.
What are the key properties of 4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine?
4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine has a molecular weight of 203.34 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(disulfanyl)-N-ethenyl-1-methylpiperazin-2-imine is sourced from PubChem (CID 123496694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).