sodium;piperidine;sulfanylmethanethioate

C6H12NNaOS2 — CID 23702068

IUPACsodium;piperidine;sulfanylmethanethioate
SMILESC1CCNCC1.O=C([S-])S.[Na+]
InChIInChI=1S/C5H11N.CH2OS2.Na/c1-2-4-6-5-3-1;2-1(3)4;/h6H,1-5H2;(H2,2,3,4);/q;;+1/p-1
InChIKeyCOPBZUYQRNRVJM-UHFFFAOYSA-M
MW201.29 g/mol
LogP-1.65
Rot. Bonds

About sodium;piperidine;sulfanylmethanethioate

sodium;piperidine;sulfanylmethanethioate (PubChem CID 23702068) has the molecular formula C6H12NNaOS2 and a molecular weight of 201.29 g/mol. Its IUPAC name is sodium;piperidine;sulfanylmethanethioate.

Molecular Properties

Compound Namesodium;piperidine;sulfanylmethanethioate
PubChem CID23702068
Molecular FormulaC6H12NNaOS2
Molecular Weight201.29 g/mol
Exact Mass201.03
IUPAC Namesodium;piperidine;sulfanylmethanethioate
SMILESC1CCNCC1.O=C([S-])S.[Na+]
InChIInChI=1S/C5H11N.CH2OS2.Na/c1-2-4-6-5-3-1;2-1(3)4;/h6H,1-5H2;(H2,2,3,4);/q;;+1/p-1
InChIKeyCOPBZUYQRNRVJM-UHFFFAOYSA-M
XLogP-1.65
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

sodium;pyrrolidine;sulfanylmethanethioate
CID 23678688
disodium;oxomethanedithiolate;pyrrolidine
CID 158391351
zinc;piperidine;dicarbamothioate
CID 159035221
bis(sulfanyl)carbamic acid;piperidine
CID 174434998
azepane;piperidine
CID 67415778
azacyclotriacontane
CID 57238597
azacycloheptadecane
CID 22627811
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
propan-2-one;pyrrolidine
CID 67819673

Frequently Asked Questions

What is the IUPAC name of sodium;piperidine;sulfanylmethanethioate?
The IUPAC name of sodium;piperidine;sulfanylmethanethioate (CID 23702068) is sodium;piperidine;sulfanylmethanethioate.
What is the SMILES notation for sodium;piperidine;sulfanylmethanethioate?
The canonical SMILES for sodium;piperidine;sulfanylmethanethioate is C1CCNCC1.O=C([S-])S.[Na+].
What is the InChIKey of sodium;piperidine;sulfanylmethanethioate?
The InChIKey is COPBZUYQRNRVJM-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11N.CH2OS2.Na/c1-2-4-6-5-3-1;2-1(3)4;/h6H,1-5H2;(H2,2,3,4);/q;;+1/p-1.
What are the key properties of sodium;piperidine;sulfanylmethanethioate?
sodium;piperidine;sulfanylmethanethioate has a molecular weight of 201.29 g/mol, XLogP of -1.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;piperidine;sulfanylmethanethioate is sourced from PubChem (CID 23702068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).