1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine

C7H13NS — CID 89068660

IUPAC1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine
SMILESCNC(C)C1C=CSC1
InChIInChI=1S/C7H13NS/c1-6(8-2)7-3-4-9-5-7/h3-4,6-8H,5H2,1-2H3
InChIKeyLGVPLFDBDLHFPK-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.47
Rot. Bonds2

About 1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine

1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine (PubChem CID 89068660) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine
PubChem CID89068660
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine
SMILESCNC(C)C1C=CSC1
InChIInChI=1S/C7H13NS/c1-6(8-2)7-3-4-9-5-7/h3-4,6-8H,5H2,1-2H3
InChIKeyLGVPLFDBDLHFPK-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine?
The IUPAC name of 1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine (CID 89068660) is 1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine is CNC(C)C1C=CSC1.
What is the InChIKey of 1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine?
The InChIKey is LGVPLFDBDLHFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6(8-2)7-3-4-9-5-7/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine?
1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine has a molecular weight of 143.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrothiophen-3-yl)-N-methylethanamine is sourced from PubChem (CID 89068660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).