potassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate

C5H11KN2OS2 — CID 139993063

IUPACpotassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate
SMILESO.S=C([S-])NN1CCCC1.[K+]
InChIInChI=1S/C5H10N2S2.K.H2O/c8-5(9)6-7-3-1-2-4-7;;/h1-4H2,(H2,6,8,9);;1H2/q;+1;/p-1
InChIKeyQJOGWHKPAFKDSP-UHFFFAOYSA-M
MW218.39 g/mol
LogP-3.40
Rot. Bonds1

About potassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate

potassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate (PubChem CID 139993063) has the molecular formula C5H11KN2OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is potassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate.

Molecular Properties

Compound Namepotassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate
PubChem CID139993063
Molecular FormulaC5H11KN2OS2
Molecular Weight218.39 g/mol
Exact Mass217.99
IUPAC Namepotassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate
SMILESO.S=C([S-])NN1CCCC1.[K+]
InChIInChI=1S/C5H10N2S2.K.H2O/c8-5(9)6-7-3-1-2-4-7;;/h1-4H2,(H2,6,8,9);;1H2/q;+1;/p-1
InChIKeyQJOGWHKPAFKDSP-UHFFFAOYSA-M
XLogP-3.40
TPSA46.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 5-3.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpiperazin-1-yl)carbamodithioate
CID 91929834
carbamodithioic acid;pyrrolidin-1-ylcarbamodithioic acid
CID 87109326
pyrrolidin-1-ylurea;hydrate
CID 141393036
1,3-dipyrrolidin-1-ylurea
CID 140976479
N-pyrrolidin-1-ylacetamide
CID 22023174
N-piperidin-1-ylcyclohexanecarboxamide
CID 17164620
N-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 130685357
N-pyrrolidin-1-ylhydroxylamine
CID 54495449
2-cyano-1-pyrrolidin-1-ylguanidine
CID 174836086
cadmium(2+);bis(piperidine-1-carbodithioate)
CID 4196090
2-hydroxy-N-piperidin-1-ylacetamide
CID 11480586
N-(azetidin-1-yl)acetamide
CID 54074158

Frequently Asked Questions

What is the IUPAC name of potassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate?
The IUPAC name of potassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate (CID 139993063) is potassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate.
What is the SMILES notation for potassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate?
The canonical SMILES for potassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate is O.S=C([S-])NN1CCCC1.[K+].
What is the InChIKey of potassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate?
The InChIKey is QJOGWHKPAFKDSP-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10N2S2.K.H2O/c8-5(9)6-7-3-1-2-4-7;;/h1-4H2,(H2,6,8,9);;1H2/q;+1;/p-1.
What are the key properties of potassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate?
potassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate has a molecular weight of 218.39 g/mol, XLogP of -3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;N-pyrrolidin-1-ylcarbamodithioate;hydrate is sourced from PubChem (CID 139993063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).