acetic acid;thiophen-2-ylmethanamine

C7H11NO2S — CID 69174857

IUPACacetic acid;thiophen-2-ylmethanamine
SMILESCC(=O)O.NCc1cccs1
InChIInChI=1S/C5H7NS.C2H4O2/c6-4-5-2-1-3-7-5;1-2(3)4/h1-3H,4,6H2;1H3,(H,3,4)
InChIKeyZBUZVPLPAZHNEH-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.30
Rot. Bonds1

About acetic acid;thiophen-2-ylmethanamine

acetic acid;thiophen-2-ylmethanamine (PubChem CID 69174857) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is acetic acid;thiophen-2-ylmethanamine.

Molecular Properties

Compound Nameacetic acid;thiophen-2-ylmethanamine
PubChem CID69174857
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Nameacetic acid;thiophen-2-ylmethanamine
SMILESCC(=O)O.NCc1cccs1
InChIInChI=1S/C5H7NS.C2H4O2/c6-4-5-2-1-3-7-5;1-2(3)4/h1-3H,4,6H2;1H3,(H,3,4)
InChIKeyZBUZVPLPAZHNEH-UHFFFAOYSA-N
XLogP1.30
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;thiophen-2-ylmethanamine?
The IUPAC name of acetic acid;thiophen-2-ylmethanamine (CID 69174857) is acetic acid;thiophen-2-ylmethanamine.
What is the SMILES notation for acetic acid;thiophen-2-ylmethanamine?
The canonical SMILES for acetic acid;thiophen-2-ylmethanamine is CC(=O)O.NCc1cccs1.
What is the InChIKey of acetic acid;thiophen-2-ylmethanamine?
The InChIKey is ZBUZVPLPAZHNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.C2H4O2/c6-4-5-2-1-3-7-5;1-2(3)4/h1-3H,4,6H2;1H3,(H,3,4).
What are the key properties of acetic acid;thiophen-2-ylmethanamine?
acetic acid;thiophen-2-ylmethanamine has a molecular weight of 173.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;thiophen-2-ylmethanamine is sourced from PubChem (CID 69174857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).