sodium;1-methylpiperazine;carbamodithioate

C6H14N3NaS2 — CID 23667321

IUPACsodium;1-methylpiperazine;carbamodithioate
SMILESCN1CCNCC1.NC(=S)[S-].[Na+]
InChIInChI=1S/C5H12N2.CH3NS2.Na/c1-7-4-2-6-3-5-7;2-1(3)4;/h6H,2-5H2,1H3;(H3,2,3,4);/q;;+1/p-1
InChIKeySPDAJEACYISTMH-UHFFFAOYSA-M
MW215.32 g/mol
LogP-3.70
Rot. Bonds

About sodium;1-methylpiperazine;carbamodithioate

sodium;1-methylpiperazine;carbamodithioate (PubChem CID 23667321) has the molecular formula C6H14N3NaS2 and a molecular weight of 215.32 g/mol. Its IUPAC name is sodium;1-methylpiperazine;carbamodithioate.

Molecular Properties

Compound Namesodium;1-methylpiperazine;carbamodithioate
PubChem CID23667321
Molecular FormulaC6H14N3NaS2
Molecular Weight215.32 g/mol
Exact Mass215.05
IUPAC Namesodium;1-methylpiperazine;carbamodithioate
SMILESCN1CCNCC1.NC(=S)[S-].[Na+]
InChIInChI=1S/C5H12N2.CH3NS2.Na/c1-7-4-2-6-3-5-7;2-1(3)4;/h6H,2-5H2,1H3;(H3,2,3,4);/q;;+1/p-1
InChIKeySPDAJEACYISTMH-UHFFFAOYSA-M
XLogP-3.70
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 5-3.70
H-Bond Donors ≤ 52
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;1-methylpiperazine;carbamodithioate?
The IUPAC name of sodium;1-methylpiperazine;carbamodithioate (CID 23667321) is sodium;1-methylpiperazine;carbamodithioate.
What is the SMILES notation for sodium;1-methylpiperazine;carbamodithioate?
The canonical SMILES for sodium;1-methylpiperazine;carbamodithioate is CN1CCNCC1.NC(=S)[S-].[Na+].
What is the InChIKey of sodium;1-methylpiperazine;carbamodithioate?
The InChIKey is SPDAJEACYISTMH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12N2.CH3NS2.Na/c1-7-4-2-6-3-5-7;2-1(3)4;/h6H,2-5H2,1H3;(H3,2,3,4);/q;;+1/p-1.
What are the key properties of sodium;1-methylpiperazine;carbamodithioate?
sodium;1-methylpiperazine;carbamodithioate has a molecular weight of 215.32 g/mol, XLogP of -3.70, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-methylpiperazine;carbamodithioate is sourced from PubChem (CID 23667321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).