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

C16H24N2O2S — CID 15164576

IUPAC1-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CSCc2ccc(CN(C)C)o2)o1
InChIInChI=1S/C16H24N2O2S/c1-17(2)9-13-5-7-15(19-13)11-21-12-16-8-6-14(20-16)10-18(3)4/h5-8H,9-12H2,1-4H3
InChIKeyLWBCWJJNBXTGBA-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.43
Rot. Bonds8

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

1-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine (PubChem CID 15164576) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
PubChem CID15164576
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(CSCc2ccc(CN(C)C)o2)o1
InChIInChI=1S/C16H24N2O2S/c1-17(2)9-13-5-7-15(19-13)11-21-12-16-8-6-14(20-16)10-18(3)4/h5-8H,9-12H2,1-4H3
InChIKeyLWBCWJJNBXTGBA-UHFFFAOYSA-N
XLogP3.43
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine (CID 15164576) is 1-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(CSCc2ccc(CN(C)C)o2)o1.
What is the InChIKey of 1-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
The InChIKey is LWBCWJJNBXTGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-17(2)9-13-5-7-15(19-13)11-21-12-16-8-6-14(20-16)10-18(3)4/h5-8H,9-12H2,1-4H3.
What are the key properties of 1-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine?
1-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine has a molecular weight of 308.45 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanylmethyl]furan-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 15164576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).