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

C18H28N2O2S2 — CID 3088389

IUPAC1-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1
InChIInChI=1S/C18H28N2O2S2/c1-19(2)11-15-5-7-17(21-15)13-23-9-10-24-14-18-8-6-16(22-18)12-20(3)4/h5-8H,9-14H2,1-4H3
InChIKeyBFYPXOUNPUWUNL-UHFFFAOYSA-N
MW368.57 g/mol
LogP4.16
Rot. Bonds11

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

1-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine (PubChem CID 3088389) has the molecular formula C18H28N2O2S2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
PubChem CID3088389
Molecular FormulaC18H28N2O2S2
Molecular Weight368.57 g/mol
Exact Mass368.16
IUPAC Name1-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1
InChIInChI=1S/C18H28N2O2S2/c1-19(2)11-15-5-7-17(21-15)13-23-9-10-24-14-18-8-6-16(22-18)12-20(3)4/h5-8H,9-14H2,1-4H3
InChIKeyBFYPXOUNPUWUNL-UHFFFAOYSA-N
XLogP4.16
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.16
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-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine (CID 3088389) is 1-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1.
What is the InChIKey of 1-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The InChIKey is BFYPXOUNPUWUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S2/c1-19(2)11-15-5-7-17(21-15)13-23-9-10-24-14-18-8-6-16(22-18)12-20(3)4/h5-8H,9-14H2,1-4H3.
What are the key properties of 1-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
1-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine has a molecular weight of 368.57 g/mol, XLogP of 4.16, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 3088389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).