1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine

C8H15NOS — CID 102651614

IUPAC1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine
SMILESCCSCC(N)C1=CCCO1
InChIInChI=1S/C8H15NOS/c1-2-11-6-7(9)8-4-3-5-10-8/h4,7H,2-3,5-6,9H2,1H3
InChIKeyVJJOJLKFYGPWEL-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.37
Rot. Bonds4

About 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine

1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine (PubChem CID 102651614) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine
PubChem CID102651614
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine
SMILESCCSCC(N)C1=CCCO1
InChIInChI=1S/C8H15NOS/c1-2-11-6-7(9)8-4-3-5-10-8/h4,7H,2-3,5-6,9H2,1H3
InChIKeyVJJOJLKFYGPWEL-UHFFFAOYSA-N
XLogP1.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine (CID 102651614) is 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine is CCSCC(N)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine?
The InChIKey is VJJOJLKFYGPWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-2-11-6-7(9)8-4-3-5-10-8/h4,7H,2-3,5-6,9H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine?
1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine has a molecular weight of 173.28 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2-ethylsulfanylethanamine is sourced from PubChem (CID 102651614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).