[5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol

C16H22N2O2S — CID 75430440

IUPAC[5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol
SMILESCN(C)CCSc1ccc(NCc2ccc(CO)o2)cc1
InChIInChI=1S/C16H22N2O2S/c1-18(2)9-10-21-16-7-3-13(4-8-16)17-11-14-5-6-15(12-19)20-14/h3-8,17,19H,9-12H2,1-2H3
InChIKeyWUCRMOKTDOUAJY-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.04
Rot. Bonds8

About [5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol

[5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol (PubChem CID 75430440) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is [5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol
PubChem CID75430440
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name[5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol
SMILESCN(C)CCSc1ccc(NCc2ccc(CO)o2)cc1
InChIInChI=1S/C16H22N2O2S/c1-18(2)9-10-21-16-7-3-13(4-8-16)17-11-14-5-6-15(12-19)20-14/h3-8,17,19H,9-12H2,1-2H3
InChIKeyWUCRMOKTDOUAJY-UHFFFAOYSA-N
XLogP3.04
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol (CID 75430440) is [5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol is CN(C)CCSc1ccc(NCc2ccc(CO)o2)cc1.
What is the InChIKey of [5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol?
The InChIKey is WUCRMOKTDOUAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-18(2)9-10-21-16-7-3-13(4-8-16)17-11-14-5-6-15(12-19)20-14/h3-8,17,19H,9-12H2,1-2H3.
What are the key properties of [5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol?
[5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol has a molecular weight of 306.43 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 75430440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).