2-(2,3-dihydrothiophen-4-yl)ethanamine

C6H11NS — CID 89300415

IUPAC2-(2,3-dihydrothiophen-4-yl)ethanamine
SMILESNCCC1=CSCC1
InChIInChI=1S/C6H11NS/c7-3-1-6-2-4-8-5-6/h5H,1-4,7H2
InChIKeyBNSFJXXLBVGBCD-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.36
Rot. Bonds2

About 2-(2,3-dihydrothiophen-4-yl)ethanamine

2-(2,3-dihydrothiophen-4-yl)ethanamine (PubChem CID 89300415) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-4-yl)ethanamine
PubChem CID89300415
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2-(2,3-dihydrothiophen-4-yl)ethanamine
SMILESNCCC1=CSCC1
InChIInChI=1S/C6H11NS/c7-3-1-6-2-4-8-5-6/h5H,1-4,7H2
InChIKeyBNSFJXXLBVGBCD-UHFFFAOYSA-N
XLogP1.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothiophen-4-yl)ethanamine?
The IUPAC name of 2-(2,3-dihydrothiophen-4-yl)ethanamine (CID 89300415) is 2-(2,3-dihydrothiophen-4-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydrothiophen-4-yl)ethanamine?
The canonical SMILES for 2-(2,3-dihydrothiophen-4-yl)ethanamine is NCCC1=CSCC1.
What is the InChIKey of 2-(2,3-dihydrothiophen-4-yl)ethanamine?
The InChIKey is BNSFJXXLBVGBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c7-3-1-6-2-4-8-5-6/h5H,1-4,7H2.
What are the key properties of 2-(2,3-dihydrothiophen-4-yl)ethanamine?
2-(2,3-dihydrothiophen-4-yl)ethanamine has a molecular weight of 129.23 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothiophen-4-yl)ethanamine is sourced from PubChem (CID 89300415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).