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

C12H21NOS — CID 62577775

IUPAC1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
SMILESCC(C)CSCCNC(C)c1ccco1
InChIInChI=1S/C12H21NOS/c1-10(2)9-15-8-6-13-11(3)12-5-4-7-14-12/h4-5,7,10-11,13H,6,8-9H2,1-3H3
InChIKeyLQKGDZQRFOFJMN-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.32
Rot. Bonds7

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

1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine (PubChem CID 62577775) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
PubChem CID62577775
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
SMILESCC(C)CSCCNC(C)c1ccco1
InChIInChI=1S/C12H21NOS/c1-10(2)9-15-8-6-13-11(3)12-5-4-7-14-12/h4-5,7,10-11,13H,6,8-9H2,1-3H3
InChIKeyLQKGDZQRFOFJMN-UHFFFAOYSA-N
XLogP3.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-N-[2-(2-methoxyethylsulfanyl)ethyl]ethanamine
CID 62578864
1-(furan-2-yl)-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine
CID 63857447
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-(furan-2-yl)ethanamine
CID 115707739
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine
CID 62582277
1-(furan-2-yl)-N-[2-(5-methylpyrimidin-2-yl)sulfanylethyl]ethanamine
CID 62579783
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-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135418
1-(furan-2-yl)-N-[2-(2-methoxyphenyl)sulfanylethyl]ethanamine
CID 55092504
N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine
CID 81399861
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine (CID 62577775) is 1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine is CC(C)CSCCNC(C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine?
The InChIKey is LQKGDZQRFOFJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-10(2)9-15-8-6-13-11(3)12-5-4-7-14-12/h4-5,7,10-11,13H,6,8-9H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine?
1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine has a molecular weight of 227.37 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 62577775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).