N-(furan-2-ylmethyl)-2-methylsulfanylaniline

C12H13NOS — CID 43683353

IUPACN-(furan-2-ylmethyl)-2-methylsulfanylaniline
SMILESCSc1ccccc1NCc1ccco1
InChIInChI=1S/C12H13NOS/c1-15-12-7-3-2-6-11(12)13-9-10-5-4-8-14-10/h2-8,13H,9H2,1H3
InChIKeyPMXDZFIYKWBMAL-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.61
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-methylsulfanylaniline

N-(furan-2-ylmethyl)-2-methylsulfanylaniline (PubChem CID 43683353) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methylsulfanylaniline
PubChem CID43683353
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC NameN-(furan-2-ylmethyl)-2-methylsulfanylaniline
SMILESCSc1ccccc1NCc1ccco1
InChIInChI=1S/C12H13NOS/c1-15-12-7-3-2-6-11(12)13-9-10-5-4-8-14-10/h2-8,13H,9H2,1H3
InChIKeyPMXDZFIYKWBMAL-UHFFFAOYSA-N
XLogP3.61
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(furan-2-ylmethyl)-2-methylsulfanylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(furan-2-yl)propan-2-yl]-2-methylsulfanylaniline
CID 63086307
2-fluoro-N-(furan-2-ylmethyl)-3-methylaniline
CID 115904329
2-[(2-methylsulfanylphenyl)methyl]furan
CID 21387627
2-[2-(furan-2-ylmethylamino)phenyl]ethanol
CID 70519504
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
N-[(2-methylphenyl)methyl]-2-methylsulfanylaniline
CID 43229992
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-methylsulfanylaniline
CID 43683366
4-fluoro-1-N-(furan-2-ylmethyl)-5-methylbenzene-1,2-diamine
CID 103589771
3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
CID 54867068
N-(furan-2-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427556
N-(furan-2-ylmethyl)-3-methylsulfanyl-1,2,4-thiadiazol-5-amine
CID 126999868
2,3,5-trifluoro-N-(furan-2-ylmethyl)aniline
CID 62811049

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methylsulfanylaniline?
The IUPAC name of N-(furan-2-ylmethyl)-2-methylsulfanylaniline (CID 43683353) is N-(furan-2-ylmethyl)-2-methylsulfanylaniline.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methylsulfanylaniline?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methylsulfanylaniline is CSc1ccccc1NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methylsulfanylaniline?
The InChIKey is PMXDZFIYKWBMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-15-12-7-3-2-6-11(12)13-9-10-5-4-8-14-10/h2-8,13H,9H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-methylsulfanylaniline?
N-(furan-2-ylmethyl)-2-methylsulfanylaniline has a molecular weight of 219.31 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methylsulfanylaniline is sourced from PubChem (CID 43683353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).