N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline

C13H15NOS — CID 43191048

IUPACN-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline
SMILESCSc1cccc(NC(C)c2ccco2)c1
InChIInChI=1S/C13H15NOS/c1-10(13-7-4-8-15-13)14-11-5-3-6-12(9-11)16-2/h3-10,14H,1-2H3
InChIKeyZRNCHUZHUJOYIR-UHFFFAOYSA-N
MW233.34 g/mol
LogP4.17
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline

N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline (PubChem CID 43191048) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline
PubChem CID43191048
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC NameN-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline
SMILESCSc1cccc(NC(C)c2ccco2)c1
InChIInChI=1S/C13H15NOS/c1-10(13-7-4-8-15-13)14-11-5-3-6-12(9-11)16-2/h3-10,14H,1-2H3
InChIKeyZRNCHUZHUJOYIR-UHFFFAOYSA-N
XLogP4.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[1-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 43535637
N-[1-(furan-2-yl)ethyl]-3-methoxyaniline
CID 43196365
N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline
CID 43191040
2-[1-(3-methylsulfanylanilino)ethyl]benzene-1,3-diol
CID 107710302
1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol
CID 55025056
3-[(dimethylamino)methyl]-N-[1-(furan-2-yl)ethyl]aniline
CID 43688829
N-[3-[1-(furan-2-yl)ethylamino]phenyl]-2-methylpropanamide
CID 43725755
N-[1-(furan-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43692009
N-[1-(4-tert-butylphenyl)ethyl]-3-methylsulfanylaniline
CID 43107208
N-[1-(furan-2-yl)ethyl]-3-pyrrolidin-1-ylaniline
CID 54863773
N-butan-2-yl-3-methylsulfanylaniline
CID 43191081
N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline
CID 62534680

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline (CID 43191048) is N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline is CSc1cccc(NC(C)c2ccco2)c1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline?
The InChIKey is ZRNCHUZHUJOYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10(13-7-4-8-15-13)14-11-5-3-6-12(9-11)16-2/h3-10,14H,1-2H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline?
N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline has a molecular weight of 233.34 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-3-methylsulfanylaniline is sourced from PubChem (CID 43191048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).