N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline

C13H15NOS — CID 115652470

IUPACN-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline
SMILESCSc1cccc(NCc2occc2C)c1
InChIInChI=1S/C13H15NOS/c1-10-6-7-15-13(10)9-14-11-4-3-5-12(8-11)16-2/h3-8,14H,9H2,1-2H3
InChIKeyRZIJABMBGOIXGH-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.92
Rot. Bonds4

About N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline

N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline (PubChem CID 115652470) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline
PubChem CID115652470
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC NameN-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline
SMILESCSc1cccc(NCc2occc2C)c1
InChIInChI=1S/C13H15NOS/c1-10-6-7-15-13(10)9-14-11-4-3-5-12(8-11)16-2/h3-8,14H,9H2,1-2H3
InChIKeyRZIJABMBGOIXGH-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylfuran-2-yl)methyl]-3-nitroaniline
CID 115884754
N-[(3,4-dimethylphenyl)methyl]-3-methylsulfanylaniline
CID 43757314
N-[(3-methylfuran-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 115744001
3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242993
N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115652446
1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one
CID 115652503
1-(furan-2-yl)-2-(3-methylsulfanylanilino)ethanol
CID 55025056
3-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780796
N-(1-benzofuran-2-ylmethyl)-3-methylsulfanylaniline
CID 29296067
2,6-difluoro-4-[(3-methylsulfanylanilino)methyl]phenol
CID 79831774
N-[(3-bromofuran-2-yl)methyl]-4-methylsulfanylaniline
CID 103817834
N-(2-methylidenebutyl)-3-methylsulfanylaniline
CID 66047338

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline (CID 115652470) is N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline is CSc1cccc(NCc2occc2C)c1.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline?
The InChIKey is RZIJABMBGOIXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10-6-7-15-13(10)9-14-11-4-3-5-12(8-11)16-2/h3-8,14H,9H2,1-2H3.
What are the key properties of N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline?
N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline has a molecular weight of 233.34 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline is sourced from PubChem (CID 115652470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).