methyl 1-methylpiperazin-1-ium-1-carbodithioate

C7H15N2S2+ — CID 18955986

IUPACmethyl 1-methylpiperazin-1-ium-1-carbodithioate
SMILESCSC(=S)[N+]1(C)CCNCC1
InChIInChI=1S/C7H15N2S2/c1-9(7(10)11-2)5-3-8-4-6-9/h8H,3-6H2,1-2H3/q+1
InChIKeyBCAMRIVOQZJSBS-UHFFFAOYSA-N
MW191.34 g/mol
LogP0.68
Rot. Bonds

About methyl 1-methylpiperazin-1-ium-1-carbodithioate

methyl 1-methylpiperazin-1-ium-1-carbodithioate (PubChem CID 18955986) has the molecular formula C7H15N2S2+ and a molecular weight of 191.34 g/mol. Its IUPAC name is methyl 1-methylpiperazin-1-ium-1-carbodithioate.

Molecular Properties

Compound Namemethyl 1-methylpiperazin-1-ium-1-carbodithioate
PubChem CID18955986
Molecular FormulaC7H15N2S2+
Molecular Weight191.34 g/mol
Exact Mass191.07
IUPAC Namemethyl 1-methylpiperazin-1-ium-1-carbodithioate
SMILESCSC(=S)[N+]1(C)CCNCC1
InChIInChI=1S/C7H15N2S2/c1-9(7(10)11-2)5-3-8-4-6-9/h8H,3-6H2,1-2H3/q+1
InChIKeyBCAMRIVOQZJSBS-UHFFFAOYSA-N
XLogP0.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze methyl 1-methylpiperazin-1-ium-1-carbodithioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-methylpiperazin-1-ium-1-carbodithioate?
The IUPAC name of methyl 1-methylpiperazin-1-ium-1-carbodithioate (CID 18955986) is methyl 1-methylpiperazin-1-ium-1-carbodithioate.
What is the SMILES notation for methyl 1-methylpiperazin-1-ium-1-carbodithioate?
The canonical SMILES for methyl 1-methylpiperazin-1-ium-1-carbodithioate is CSC(=S)[N+]1(C)CCNCC1.
What is the InChIKey of methyl 1-methylpiperazin-1-ium-1-carbodithioate?
The InChIKey is BCAMRIVOQZJSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2S2/c1-9(7(10)11-2)5-3-8-4-6-9/h8H,3-6H2,1-2H3/q+1.
What are the key properties of methyl 1-methylpiperazin-1-ium-1-carbodithioate?
methyl 1-methylpiperazin-1-ium-1-carbodithioate has a molecular weight of 191.34 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methylpiperazin-1-ium-1-carbodithioate is sourced from PubChem (CID 18955986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).