3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline

C13H15NOS — CID 115744245

IUPAC3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline
SMILESCCSc1cccc(NCc2ccco2)c1
InChIInChI=1S/C13H15NOS/c1-2-16-13-7-3-5-11(9-13)14-10-12-6-4-8-15-12/h3-9,14H,2,10H2,1H3
InChIKeyZBUOECMBBOUPTA-UHFFFAOYSA-N
MW233.34 g/mol
LogP4.00
Rot. Bonds5

About 3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline

3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline (PubChem CID 115744245) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline
PubChem CID115744245
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline
SMILESCCSc1cccc(NCc2ccco2)c1
InChIInChI=1S/C13H15NOS/c1-2-16-13-7-3-5-11(9-13)14-10-12-6-4-8-15-12/h3-9,14H,2,10H2,1H3
InChIKeyZBUOECMBBOUPTA-UHFFFAOYSA-N
XLogP4.00
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 122234636
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N-(furan-2-ylmethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
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1-(3-ethylsulfanylphenyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
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N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline
CID 43739947
2-amino-4-(furan-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 80646286
N-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 54865266
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
2-ethyl-4-N-(furan-2-ylmethyl)-6-methylbenzene-1,4-diamine
CID 91671898
4-(furan-2-ylmethylamino)pyridine-2-carbonitrile
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N-[(3-methylfuran-2-yl)methyl]-3-methylsulfanylaniline
CID 115652470

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline (CID 115744245) is 3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline is CCSc1cccc(NCc2ccco2)c1.
What is the InChIKey of 3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline?
The InChIKey is ZBUOECMBBOUPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-2-16-13-7-3-5-11(9-13)14-10-12-6-4-8-15-12/h3-9,14H,2,10H2,1H3.
What are the key properties of 3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline?
3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline has a molecular weight of 233.34 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 115744245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).