potassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine

C12H24KNS-2 — CID 178170617

IUPACpotassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine
SMILESCS/C(C)=[C-]/CN1CCCCC1.[CH3-].[CH3-].[K+]
InChIInChI=1S/C10H18NS.2CH3.K/c1-10(12-2)6-9-11-7-4-3-5-8-11;;;/h3-5,7-9H2,1-2H3;2*1H3;/q3*-1;+1
InChIKeyWXXCONJPUDBBBS-UHFFFAOYSA-N
MW253.50 g/mol
LogP0.45
Rot. Bonds3

About potassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine

potassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine (PubChem CID 178170617) has the molecular formula C12H24KNS-2 and a molecular weight of 253.50 g/mol. Its IUPAC name is potassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine.

Molecular Properties

Compound Namepotassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine
PubChem CID178170617
Molecular FormulaC12H24KNS-2
Molecular Weight253.50 g/mol
Exact Mass253.13
IUPAC Namepotassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine
SMILESCS/C(C)=[C-]/CN1CCCCC1.[CH3-].[CH3-].[K+]
InChIInChI=1S/C10H18NS.2CH3.K/c1-10(12-2)6-9-11-7-4-3-5-8-11;;;/h3-5,7-9H2,1-2H3;2*1H3;/q3*-1;+1
InChIKeyWXXCONJPUDBBBS-UHFFFAOYSA-N
XLogP0.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.50
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine?
The IUPAC name of potassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine (CID 178170617) is potassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine.
What is the SMILES notation for potassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine?
The canonical SMILES for potassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine is CS/C(C)=[C-]/CN1CCCCC1.[CH3-].[CH3-].[K+].
What is the InChIKey of potassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine?
The InChIKey is WXXCONJPUDBBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NS.2CH3.K/c1-10(12-2)6-9-11-7-4-3-5-8-11;;;/h3-5,7-9H2,1-2H3;2*1H3;/q3*-1;+1.
What are the key properties of potassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine?
potassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine has a molecular weight of 253.50 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;1-(3-methylsulfanylbut-2-enyl)piperidine is sourced from PubChem (CID 178170617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).