N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine

C10H17NOS — CID 105146707

IUPACN-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCCNC(CCSC)c1ccoc1
InChIInChI=1S/C10H17NOS/c1-3-11-10(5-7-13-2)9-4-6-12-8-9/h4,6,8,10-11H,3,5,7H2,1-2H3
InChIKeyDWSJYKWBWGRDJX-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.68
Rot. Bonds6

About N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine

N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine (PubChem CID 105146707) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine
PubChem CID105146707
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC NameN-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine
SMILESCCNC(CCSC)c1ccoc1
InChIInChI=1S/C10H17NOS/c1-3-11-10(5-7-13-2)9-4-6-12-8-9/h4,6,8,10-11H,3,5,7H2,1-2H3
InChIKeyDWSJYKWBWGRDJX-UHFFFAOYSA-N
XLogP2.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(furan-3-yl)-3-methoxypropan-1-amine
CID 63948181
N-ethyl-1-(furan-3-yl)-4-methoxypentan-1-amine
CID 105146658
4-ethoxy-N-ethyl-1-(furan-3-yl)butan-1-amine
CID 105146625
2-butan-2-ylsulfanyl-N-ethyl-1-(furan-3-yl)ethanamine
CID 65136268
N-ethyl-1-(furan-3-yl)-3-phenoxypropan-1-amine
CID 63948564
1-(furan-3-yl)-N-methyl-2-methylsulfanylethanamine
CID 63949401
N-ethyl-2-(4-fluorophenyl)sulfanyl-1-(furan-3-yl)ethanamine
CID 66065314
N-ethyl-1-(3-ethylphenyl)-3-methylsulfanylpropan-1-amine
CID 105171168
N-[furan-3-yl-(4-methylsulfanylphenyl)methyl]ethanamine
CID 115855604
N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878243
N-ethyl-1-(furan-3-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 112643066
2-(2,3-dichlorophenyl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 107308628

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine (CID 105146707) is N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine is CCNC(CCSC)c1ccoc1.
What is the InChIKey of N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine?
The InChIKey is DWSJYKWBWGRDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-11-10(5-7-13-2)9-4-6-12-8-9/h4,6,8,10-11H,3,5,7H2,1-2H3.
What are the key properties of N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine?
N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine has a molecular weight of 199.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-3-yl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 105146707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).