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

C6H11NS — CID 70315620

IUPAC2-(2,3-dihydrothiophen-2-yl)ethanamine
SMILESNCCC1CC=CS1
InChIInChI=1S/C6H11NS/c7-4-3-6-2-1-5-8-6/h1,5-6H,2-4,7H2
InChIKeyKDZDQPHXWXJEHT-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.35
Rot. Bonds2

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

2-(2,3-dihydrothiophen-2-yl)ethanamine (PubChem CID 70315620) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-2-yl)ethanamine
PubChem CID70315620
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2-(2,3-dihydrothiophen-2-yl)ethanamine
SMILESNCCC1CC=CS1
InChIInChI=1S/C6H11NS/c7-4-3-6-2-1-5-8-6/h1,5-6H,2-4,7H2
InChIKeyKDZDQPHXWXJEHT-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Fluoro-2,3-dihydrothiophen-2-yl)methanamine
CID 130239682
2-Propyl-2,3-dihydrothiophen-3-amine
CID 57119299
(2-methyl-3H-thiophen-2-yl)methanamine
CID 57267257
2-Cyclopent-2-en-1-ylsulfanylethanamine
CID 58684537
2-Cyclopent-3-en-1-ylsulfanylethanamine
CID 58684734
(7Z)-3,4,5,6-tetrahydro-2H-thiazocine
CID 67177344
3,4,5,6-tetrahydro-2H-thiazocine
CID 67177345
2,3-Dihydrothiophen-2-ylmethanamine
CID 68270017
2-(2-methyl-3H-thiophen-2-yl)ethanamine
CID 68810050
2-(2-ethyl-3H-thiophen-2-yl)ethanamine
CID 68810150
5-Prop-2-enyl-1,2-thiazolidine
CID 69647874
2-(4-Methylidenethiophen-3-yl)ethanamine
CID 70353652

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothiophen-2-yl)ethanamine?
The IUPAC name of 2-(2,3-dihydrothiophen-2-yl)ethanamine (CID 70315620) is 2-(2,3-dihydrothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydrothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2,3-dihydrothiophen-2-yl)ethanamine is NCCC1CC=CS1.
What is the InChIKey of 2-(2,3-dihydrothiophen-2-yl)ethanamine?
The InChIKey is KDZDQPHXWXJEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c7-4-3-6-2-1-5-8-6/h1,5-6H,2-4,7H2.
What are the key properties of 2-(2,3-dihydrothiophen-2-yl)ethanamine?
2-(2,3-dihydrothiophen-2-yl)ethanamine has a molecular weight of 129.23 g/mol, XLogP of 1.35, 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-2-yl)ethanamine is sourced from PubChem (CID 70315620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).