1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol

C13H15NO2S — CID 55025056

IUPAC1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol
SMILESCSc1cccc(NCC(O)c2ccco2)c1
InChIInChI=1S/C13H15NO2S/c1-17-11-5-2-4-10(8-11)14-9-12(15)13-6-3-7-16-13/h2-8,12,14-15H,9H2,1H3
InChIKeyCCRWBUKBUSWFHQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.15
Rot. Bonds5

About 1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol

1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol (PubChem CID 55025056) has the molecular formula C13H15NO2S and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol
PubChem CID55025056
Molecular FormulaC13H15NO2S
Molecular Weight249.34 g/mol
Exact Mass249.08
IUPAC Name1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol
SMILESCSc1cccc(NCC(O)c2ccco2)c1
InChIInChI=1S/C13H15NO2S/c1-17-11-5-2-4-10(8-11)14-9-12(15)13-6-3-7-16-13/h2-8,12,14-15H,9H2,1H3
InChIKeyCCRWBUKBUSWFHQ-UHFFFAOYSA-N
XLogP3.15
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromoanilino)-1-(furan-2-yl)ethanol
CID 60898351
N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline
CID 43191048
1-chloro-3-(3-methylsulfanylanilino)propan-2-ol
CID 168600816
2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol
CID 55025105
3-(3-methylsulfanylanilino)propane-1,2-diol
CID 76891537
1-(2-chlorophenyl)-2-(3-methylsulfanylanilino)ethanol
CID 60898393
1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol
CID 63928358
N-(2-ethylbutyl)-3-methylsulfanylaniline
CID 29289769
2-(4-bromo-3-iodoanilino)-1-(furan-2-yl)ethanol
CID 114260364
4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]benzamide
CID 60898863
1-[3-(difluoromethylsulfanyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110929150
1-(furan-2-yl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79770661

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol?
The IUPAC name of 1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol (CID 55025056) is 1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol is CSc1cccc(NCC(O)c2ccco2)c1.
What is the InChIKey of 1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol?
The InChIKey is CCRWBUKBUSWFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S/c1-17-11-5-2-4-10(8-11)14-9-12(15)13-6-3-7-16-13/h2-8,12,14-15H,9H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol?
1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol has a molecular weight of 249.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol is sourced from PubChem (CID 55025056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).