2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine

C7H13NS — CID 89143500

IUPAC2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine
SMILESCNCCC1CC=CS1
InChIInChI=1S/C7H13NS/c1-8-5-4-7-3-2-6-9-7/h2,6-8H,3-5H2,1H3
InChIKeyHYOXPBPFNXAVAR-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.62
Rot. Bonds3

About 2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine

2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine (PubChem CID 89143500) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine
PubChem CID89143500
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine
SMILESCNCCC1CC=CS1
InChIInChI=1S/C7H13NS/c1-8-5-4-7-3-2-6-9-7/h2,6-8H,3-5H2,1H3
InChIKeyHYOXPBPFNXAVAR-UHFFFAOYSA-N
XLogP1.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.62
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-2-yl)-N-methylethanamine?
The IUPAC name of 2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine (CID 89143500) is 2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine is CNCCC1CC=CS1.
What is the InChIKey of 2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine?
The InChIKey is HYOXPBPFNXAVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-8-5-4-7-3-2-6-9-7/h2,6-8H,3-5H2,1H3.
What are the key properties of 2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine?
2-(2,3-dihydrothiophen-2-yl)-N-methylethanamine has a molecular weight of 143.25 g/mol, XLogP of 1.62, 3 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)-N-methylethanamine is sourced from PubChem (CID 89143500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).