1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine

C19H30N2O2S2 — CID 3071772

IUPAC1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CSCCCSCc2ccc(CN(C)C)o2)o1
InChIInChI=1S/C19H30N2O2S2/c1-20(2)12-16-6-8-18(22-16)14-24-10-5-11-25-15-19-9-7-17(23-19)13-21(3)4/h6-9H,5,10-15H2,1-4H3
InChIKeyZYKGNFBRZVTSQT-UHFFFAOYSA-N
MW382.60 g/mol
LogP4.55
Rot. Bonds12

About 1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine

1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine (PubChem CID 3071772) has the molecular formula C19H30N2O2S2 and a molecular weight of 382.60 g/mol. Its IUPAC name is 1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
PubChem CID3071772
Molecular FormulaC19H30N2O2S2
Molecular Weight382.60 g/mol
Exact Mass382.17
IUPAC Name1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CSCCCSCc2ccc(CN(C)C)o2)o1
InChIInChI=1S/C19H30N2O2S2/c1-20(2)12-16-6-8-18(22-16)14-24-10-5-11-25-15-19-9-7-17(23-19)13-21(3)4/h6-9H,5,10-15H2,1-4H3
InChIKeyZYKGNFBRZVTSQT-UHFFFAOYSA-N
XLogP4.55
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.60
LogP ≤ 54.55
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-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine (CID 3071772) is 1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(CSCCCSCc2ccc(CN(C)C)o2)o1.
What is the InChIKey of 1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The InChIKey is ZYKGNFBRZVTSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S2/c1-20(2)12-16-6-8-18(22-16)14-24-10-5-11-25-15-19-9-7-17(23-19)13-21(3)4/h6-9H,5,10-15H2,1-4H3.
What are the key properties of 1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine has a molecular weight of 382.60 g/mol, XLogP of 4.55, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]propylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 3071772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).