zinc;piperidine;dicarbamothioate

C7H15N3O2S2Zn — CID 159035221

IUPACzinc;piperidine;dicarbamothioate
SMILESC1CCNCC1.NC(=O)[S-].NC(=O)[S-].[Zn+2]
InChIInChI=1S/C5H11N.2CH3NOS.Zn/c1-2-4-6-5-3-1;2*2-1(3)4;/h6H,1-5H2;2*(H3,2,3,4);/q;;;+2/p-2
InChIKeyJVJKNSQROKZOOJ-UHFFFAOYSA-L
MW302.74 g/mol
LogP-0.02
Rot. Bonds

About zinc;piperidine;dicarbamothioate

zinc;piperidine;dicarbamothioate (PubChem CID 159035221) has the molecular formula C7H15N3O2S2Zn and a molecular weight of 302.74 g/mol. Its IUPAC name is zinc;piperidine;dicarbamothioate.

Molecular Properties

Compound Namezinc;piperidine;dicarbamothioate
PubChem CID159035221
Molecular FormulaC7H15N3O2S2Zn
Molecular Weight302.74 g/mol
Exact Mass300.99
IUPAC Namezinc;piperidine;dicarbamothioate
SMILESC1CCNCC1.NC(=O)[S-].NC(=O)[S-].[Zn+2]
InChIInChI=1S/C5H11N.2CH3NOS.Zn/c1-2-4-6-5-3-1;2*2-1(3)4;/h6H,1-5H2;2*(H3,2,3,4);/q;;;+2/p-2
InChIKeyJVJKNSQROKZOOJ-UHFFFAOYSA-L
XLogP-0.02
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze zinc;piperidine;dicarbamothioate 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

disodium;oxomethanedithiolate;pyrrolidine
CID 158391351
sodium;piperidine;sulfanylmethanethioate
CID 23702068
sodium;pyrrolidine;sulfanylmethanethioate
CID 23678688
piperidine;2,2,2-trifluoroacetamide
CID 121482656
2-methylpropanamide;pyrrolidine
CID 174809960
azacycloheptadecane
CID 22627811
azepane;piperidine
CID 67415778
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561
1,8,15,22-tetrazacyclooctacosane
CID 15722579
oxalic acid;piperidine;hydrate
CID 70586342
azacyclotriacontane
CID 57238597

Frequently Asked Questions

What is the IUPAC name of zinc;piperidine;dicarbamothioate?
The IUPAC name of zinc;piperidine;dicarbamothioate (CID 159035221) is zinc;piperidine;dicarbamothioate.
What is the SMILES notation for zinc;piperidine;dicarbamothioate?
The canonical SMILES for zinc;piperidine;dicarbamothioate is C1CCNCC1.NC(=O)[S-].NC(=O)[S-].[Zn+2].
What is the InChIKey of zinc;piperidine;dicarbamothioate?
The InChIKey is JVJKNSQROKZOOJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H11N.2CH3NOS.Zn/c1-2-4-6-5-3-1;2*2-1(3)4;/h6H,1-5H2;2*(H3,2,3,4);/q;;;+2/p-2.
What are the key properties of zinc;piperidine;dicarbamothioate?
zinc;piperidine;dicarbamothioate has a molecular weight of 302.74 g/mol, XLogP of -0.02, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;piperidine;dicarbamothioate is sourced from PubChem (CID 159035221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).