1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine

C23H38N2O2S2 — CID 3071776

IUPAC1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1
InChIInChI=1S/C23H38N2O2S2/c1-24(2)16-20-10-12-22(26-20)18-28-14-8-6-5-7-9-15-29-19-23-13-11-21(27-23)17-25(3)4/h10-13H,5-9,14-19H2,1-4H3
InChIKeyNOWQNKKWTMXZLC-UHFFFAOYSA-N
MW438.70 g/mol
LogP6.11
Rot. Bonds16

About 1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine

1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine (PubChem CID 3071776) has the molecular formula C23H38N2O2S2 and a molecular weight of 438.70 g/mol. Its IUPAC name is 1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
PubChem CID3071776
Molecular FormulaC23H38N2O2S2
Molecular Weight438.70 g/mol
Exact Mass438.24
IUPAC Name1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1
InChIInChI=1S/C23H38N2O2S2/c1-24(2)16-20-10-12-22(26-20)18-28-14-8-6-5-7-9-15-29-19-23-13-11-21(27-23)17-25(3)4/h10-13H,5-9,14-19H2,1-4H3
InChIKeyNOWQNKKWTMXZLC-UHFFFAOYSA-N
XLogP6.11
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

5-Methylfurtrethonium
CID 4141
N,N'-Bis(2-(((5-((dimethylamino)methyl)furan-2-yl)methyl)sulfanyl)ethyl)-2-nitroethene-1,1-diamine
CID 3055214
Guanidine, N-cyano-N',N''-bis(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-
CID 3055247
5-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamine
CID 162203
1-[(5-Methyl-2-furanyl)methyl]pyrrolidine
CID 529066
N-Butyl-5-methyl-N-[(5-methyl-2-furanyl)methyl]-2-furanmethanamine
CID 4597757
4-[(5-Methyl-2-furyl)methyl]-1lambda~6~,4-thiazinane-1,1-dione
CID 3652335
N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 5217129
N-(furan-2-ylmethyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]sulfanylpropanamide
CID 557197
2-Furanmethanamine, 5,5'-(1,3-propanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071772
2-Furanmethanamine, 5,5'-(1,4-butanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071773
2-Furanmethanamine, 5,5'-(1,5-pentanediylbis(thiomethylene))bis(N,N-dimethyl-
CID 3071774

Frequently Asked Questions

What is the IUPAC name of 1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine (CID 3071776) is 1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1.
What is the InChIKey of 1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The InChIKey is NOWQNKKWTMXZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O2S2/c1-24(2)16-20-10-12-22(26-20)18-28-14-8-6-5-7-9-15-29-19-23-13-11-21(27-23)17-25(3)4/h10-13H,5-9,14-19H2,1-4H3.
What are the key properties of 1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine has a molecular weight of 438.70 g/mol, XLogP of 6.11, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[7-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]heptylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 3071776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).