sodium;piperidine-4-carboxamide;carbamodithioate

C7H14N3NaOS2 — CID 23687884

IUPACsodium;piperidine-4-carboxamide;carbamodithioate
SMILESNC(=O)C1CCNCC1.NC(=S)[S-].[Na+]
InChIInChI=1S/C6H12N2O.CH3NS2.Na/c7-6(9)5-1-3-8-4-2-5;2-1(3)4;/h5,8H,1-4H2,(H2,7,9);(H3,2,3,4);/q;;+1/p-1
InChIKeyRMNPLCPCJIEIRK-UHFFFAOYSA-M
MW243.33 g/mol
LogP-3.75
Rot. Bonds1

About sodium;piperidine-4-carboxamide;carbamodithioate

sodium;piperidine-4-carboxamide;carbamodithioate (PubChem CID 23687884) has the molecular formula C7H14N3NaOS2 and a molecular weight of 243.33 g/mol. Its IUPAC name is sodium;piperidine-4-carboxamide;carbamodithioate.

Molecular Properties

Compound Namesodium;piperidine-4-carboxamide;carbamodithioate
PubChem CID23687884
Molecular FormulaC7H14N3NaOS2
Molecular Weight243.33 g/mol
Exact Mass243.05
IUPAC Namesodium;piperidine-4-carboxamide;carbamodithioate
SMILESNC(=O)C1CCNCC1.NC(=S)[S-].[Na+]
InChIInChI=1S/C6H12N2O.CH3NS2.Na/c7-6(9)5-1-3-8-4-2-5;2-1(3)4;/h5,8H,1-4H2,(H2,7,9);(H3,2,3,4);/q;;+1/p-1
InChIKeyRMNPLCPCJIEIRK-UHFFFAOYSA-M
XLogP-3.75
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-3.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;piperidine-4-carboxamide;carbamodithioate?
The IUPAC name of sodium;piperidine-4-carboxamide;carbamodithioate (CID 23687884) is sodium;piperidine-4-carboxamide;carbamodithioate.
What is the SMILES notation for sodium;piperidine-4-carboxamide;carbamodithioate?
The canonical SMILES for sodium;piperidine-4-carboxamide;carbamodithioate is NC(=O)C1CCNCC1.NC(=S)[S-].[Na+].
What is the InChIKey of sodium;piperidine-4-carboxamide;carbamodithioate?
The InChIKey is RMNPLCPCJIEIRK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12N2O.CH3NS2.Na/c7-6(9)5-1-3-8-4-2-5;2-1(3)4;/h5,8H,1-4H2,(H2,7,9);(H3,2,3,4);/q;;+1/p-1.
What are the key properties of sodium;piperidine-4-carboxamide;carbamodithioate?
sodium;piperidine-4-carboxamide;carbamodithioate has a molecular weight of 243.33 g/mol, XLogP of -3.75, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;piperidine-4-carboxamide;carbamodithioate is sourced from PubChem (CID 23687884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).