1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine

C26H44N2O2S2 — CID 15164580

IUPAC1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CSCCCCCCCCCCSCc2ccc(CN(C)C)o2)o1
InChIInChI=1S/C26H44N2O2S2/c1-27(2)19-23-13-15-25(29-23)21-31-17-11-9-7-5-6-8-10-12-18-32-22-26-16-14-24(30-26)20-28(3)4/h13-16H,5-12,17-22H2,1-4H3
InChIKeySXUSJKARTRGOFL-UHFFFAOYSA-N
MW480.78 g/mol
LogP7.28
Rot. Bonds19

About 1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine

1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine (PubChem CID 15164580) has the molecular formula C26H44N2O2S2 and a molecular weight of 480.78 g/mol. Its IUPAC name is 1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
PubChem CID15164580
Molecular FormulaC26H44N2O2S2
Molecular Weight480.78 g/mol
Exact Mass480.28
IUPAC Name1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CSCCCCCCCCCCSCc2ccc(CN(C)C)o2)o1
InChIInChI=1S/C26H44N2O2S2/c1-27(2)19-23-13-15-25(29-23)21-31-17-11-9-7-5-6-8-10-12-18-32-22-26-16-14-24(30-26)20-28(3)4/h13-16H,5-12,17-22H2,1-4H3
InChIKeySXUSJKARTRGOFL-UHFFFAOYSA-N
XLogP7.28
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.78
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine (CID 15164580) is 1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(CSCCCCCCCCCCSCc2ccc(CN(C)C)o2)o1.
What is the InChIKey of 1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The InChIKey is SXUSJKARTRGOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O2S2/c1-27(2)19-23-13-15-25(29-23)21-31-17-11-9-7-5-6-8-10-12-18-32-22-26-16-14-24(30-26)20-28(3)4/h13-16H,5-12,17-22H2,1-4H3.
What are the key properties of 1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine has a molecular weight of 480.78 g/mol, XLogP of 7.28, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[10-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]decylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 15164580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).