1-thiophen-3-ylethanamine

C6H9NS — CID 14249915

IUPAC1-thiophen-3-ylethanamine
SMILESCC(N)c1ccsc1
InChIInChI=1S/C6H9NS/c1-5(7)6-2-3-8-4-6/h2-5H,7H2,1H3
InChIKeyKXCGQPCMPZULFH-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.77
Rot. Bonds1

About 1-thiophen-3-ylethanamine

1-thiophen-3-ylethanamine (PubChem CID 14249915) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-thiophen-3-ylethanamine
PubChem CID14249915
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name1-thiophen-3-ylethanamine
SMILESCC(N)c1ccsc1
InChIInChI=1S/C6H9NS/c1-5(7)6-2-3-8-4-6/h2-5H,7H2,1H3
InChIKeyKXCGQPCMPZULFH-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-ylethanamine?
The IUPAC name of 1-thiophen-3-ylethanamine (CID 14249915) is 1-thiophen-3-ylethanamine.
What is the SMILES notation for 1-thiophen-3-ylethanamine?
The canonical SMILES for 1-thiophen-3-ylethanamine is CC(N)c1ccsc1.
What is the InChIKey of 1-thiophen-3-ylethanamine?
The InChIKey is KXCGQPCMPZULFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-5(7)6-2-3-8-4-6/h2-5H,7H2,1H3.
What are the key properties of 1-thiophen-3-ylethanamine?
1-thiophen-3-ylethanamine has a molecular weight of 127.21 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-ylethanamine is sourced from PubChem (CID 14249915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).