ethane;furan;1-methylpyridin-1-ium;thiophene

C26H52NOS+ — CID 158140473

IUPACethane;furan;1-methylpyridin-1-ium;thiophene
SMILESCC.CC.CC.CC.CC.CC.C[n+]1ccccc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C6H8N.C4H4O.C4H4S.6C2H6/c1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;6*1-2/h2-6H,1H3;2*1-4H;6*1-2H3/q+1;;;;;;;;
InChIKeyALSRLTYSUMUPOW-UHFFFAOYSA-N
MW426.78 g/mol
LogP9.70
Rot. Bonds

About ethane;furan;1-methylpyridin-1-ium;thiophene

ethane;furan;1-methylpyridin-1-ium;thiophene (PubChem CID 158140473) has the molecular formula C26H52NOS+ and a molecular weight of 426.78 g/mol. Its IUPAC name is ethane;furan;1-methylpyridin-1-ium;thiophene.

Molecular Properties

Compound Nameethane;furan;1-methylpyridin-1-ium;thiophene
PubChem CID158140473
Molecular FormulaC26H52NOS+
Molecular Weight426.78 g/mol
Exact Mass426.38
IUPAC Nameethane;furan;1-methylpyridin-1-ium;thiophene
SMILESCC.CC.CC.CC.CC.CC.C[n+]1ccccc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C6H8N.C4H4O.C4H4S.6C2H6/c1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;6*1-2/h2-6H,1H3;2*1-4H;6*1-2H3/q+1;;;;;;;;
InChIKeyALSRLTYSUMUPOW-UHFFFAOYSA-N
XLogP9.70
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.78
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 645052
Pyridin-2-yl thiophene-2-carboxylate
CID 844432
(2E)-3-(2-furyl)-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
CID 46995818
2-Fluoro-4-(furan-2-ylmethylsulfanyl)pyridine
CID 104032302
2-Fluoro-4-(2-methylfuran-3-yl)sulfanylpyridine
CID 107780839
2-Fluoro-4-{[(3-methylfuran-2-yl)methyl]sulfanyl}pyridine
CID 165508841
1-(5-ethylpyridin-2-yl)-N-(2-furylmethyl)-N-(3-thienylmethyl)methanamine
CID 46986574
(E)-3-(furan-2-yl)-N-((1-methyl-1H-pyrrol-2-yl)methyl)-N-(thiophen-2-ylmethyl)acrylamide
CID 49754157
(4-(Pyridin-2-yloxy)piperidin-1-yl)(thiophen-2-yl)methanone
CID 71798625
N-(furan-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 71804112
N-(furan-3-ylmethyl)-2-(methylthio)-N-(2-(thiophen-2-yl)ethyl)nicotinamide
CID 71804176
N-[(5-methylfuran-2-yl)methyl]-1-pyridin-3-yl-N-(thiophen-2-ylmethyl)methanamine
CID 95857604

Frequently Asked Questions

What is the IUPAC name of ethane;furan;1-methylpyridin-1-ium;thiophene?
The IUPAC name of ethane;furan;1-methylpyridin-1-ium;thiophene (CID 158140473) is ethane;furan;1-methylpyridin-1-ium;thiophene.
What is the SMILES notation for ethane;furan;1-methylpyridin-1-ium;thiophene?
The canonical SMILES for ethane;furan;1-methylpyridin-1-ium;thiophene is CC.CC.CC.CC.CC.CC.C[n+]1ccccc1.c1ccoc1.c1ccsc1.
What is the InChIKey of ethane;furan;1-methylpyridin-1-ium;thiophene?
The InChIKey is ALSRLTYSUMUPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N.C4H4O.C4H4S.6C2H6/c1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;6*1-2/h2-6H,1H3;2*1-4H;6*1-2H3/q+1;;;;;;;;.
What are the key properties of ethane;furan;1-methylpyridin-1-ium;thiophene?
ethane;furan;1-methylpyridin-1-ium;thiophene has a molecular weight of 426.78 g/mol, XLogP of 9.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;furan;1-methylpyridin-1-ium;thiophene is sourced from PubChem (CID 158140473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).