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

C12H21NO2S — CID 63857447

IUPAC1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine
SMILESCOCCCSCCNC(C)c1ccco1
InChIInChI=1S/C12H21NO2S/c1-11(12-5-3-8-15-12)13-6-10-16-9-4-7-14-2/h3,5,8,11,13H,4,6-7,9-10H2,1-2H3
InChIKeyCBPFMLLWXFIKBU-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.70
Rot. Bonds9

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

1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine (PubChem CID 63857447) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine
PubChem CID63857447
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine
SMILESCOCCCSCCNC(C)c1ccco1
InChIInChI=1S/C12H21NO2S/c1-11(12-5-3-8-15-12)13-6-10-16-9-4-7-14-2/h3,5,8,11,13H,4,6-7,9-10H2,1-2H3
InChIKeyCBPFMLLWXFIKBU-UHFFFAOYSA-N
XLogP2.70
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine 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

1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine
CID 62578864
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
CID 62577775
N'-[1-(furan-2-yl)ethyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62561068
N-[2-(3-methoxypropylsulfanyl)ethyl]-1-thiophen-2-ylethanamine
CID 63856707
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-(furan-2-yl)ethanamine
CID 115707739
1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine
CID 55092504
N'-ethyl-N-[1-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 62554463
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine (CID 63857447) is 1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine is COCCCSCCNC(C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine?
The InChIKey is CBPFMLLWXFIKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-11(12-5-3-8-15-12)13-6-10-16-9-4-7-14-2/h3,5,8,11,13H,4,6-7,9-10H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine?
1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine has a molecular weight of 243.37 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 63857447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).