3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol

C11H19NO2S — CID 115723211

IUPAC3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol
SMILESCSCC(CCO)NC(C)c1ccco1
InChIInChI=1S/C11H19NO2S/c1-9(11-4-3-7-14-11)12-10(5-6-13)8-15-2/h3-4,7,9-10,12-13H,5-6,8H2,1-2H3
InChIKeyRLLKCEPCMKJRMD-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.04
Rot. Bonds7

About 3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol

3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol (PubChem CID 115723211) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol
PubChem CID115723211
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol
SMILESCSCC(CCO)NC(C)c1ccco1
InChIInChI=1S/C11H19NO2S/c1-9(11-4-3-7-14-11)12-10(5-6-13)8-15-2/h3-4,7,9-10,12-13H,5-6,8H2,1-2H3
InChIKeyRLLKCEPCMKJRMD-UHFFFAOYSA-N
XLogP2.04
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[1-(furan-2-yl)ethylamino]butan-1-ol
CID 103922442
3-[1-(furan-2-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104663612
(3R)-3-[[(1R)-1-(2-bromophenyl)ethyl]amino]-4-methylsulfanylbutan-1-ol
CID 99849156
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
N-[1-(furan-2-yl)ethyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 66139067
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
3-[[(1R)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81400905
(2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 97070512
3-[[furan-2-yl(phenyl)methyl]amino]pentan-1-ol
CID 104531232
4-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]propyl]phenol
CID 115494501
3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol
CID 106156673

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol (CID 115723211) is 3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol is CSCC(CCO)NC(C)c1ccco1.
What is the InChIKey of 3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol?
The InChIKey is RLLKCEPCMKJRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-9(11-4-3-7-14-11)12-10(5-6-13)8-15-2/h3-4,7,9-10,12-13H,5-6,8H2,1-2H3.
What are the key properties of 3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol?
3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol has a molecular weight of 229.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 115723211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).