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

C7H13NOS — CID 102651456

IUPAC1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanamine
SMILESCSCC(N)C1=CCCO1
InChIInChI=1S/C7H13NOS/c1-10-5-6(8)7-3-2-4-9-7/h3,6H,2,4-5,8H2,1H3
InChIKeyRPEYSPWGEBNURF-UHFFFAOYSA-N
MW159.25 g/mol
LogP0.98
Rot. Bonds3

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

1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanamine (PubChem CID 102651456) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanamine
PubChem CID102651456
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanamine
SMILESCSCC(N)C1=CCCO1
InChIInChI=1S/C7H13NOS/c1-10-5-6(8)7-3-2-4-9-7/h3,6H,2,4-5,8H2,1H3
InChIKeyRPEYSPWGEBNURF-UHFFFAOYSA-N
XLogP0.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.98
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-methylsulfanylethanamine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanamine (CID 102651456) is 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanamine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanamine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanamine is CSCC(N)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanamine?
The InChIKey is RPEYSPWGEBNURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-10-5-6(8)7-3-2-4-9-7/h3,6H,2,4-5,8H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanamine?
1-(2,3-dihydrofuran-5-yl)-2-methylsulfanylethanamine has a molecular weight of 159.25 g/mol, XLogP of 0.98, 3 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-methylsulfanylethanamine is sourced from PubChem (CID 102651456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).