1-(3-aminothiophen-2-yl)ethanone;ethane

C8H13NOS — CID 91396901

IUPAC1-(3-aminothiophen-2-yl)ethanone;ethane
SMILESCC.CC(=O)c1sccc1N
InChIInChI=1S/C6H7NOS.C2H6/c1-4(8)6-5(7)2-3-9-6;1-2/h2-3H,7H2,1H3;1-2H3
InChIKeyRRUPPWRUFSZUIV-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.56
Rot. Bonds1

About 1-(3-aminothiophen-2-yl)ethanone;ethane

1-(3-aminothiophen-2-yl)ethanone;ethane (PubChem CID 91396901) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(3-aminothiophen-2-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(3-aminothiophen-2-yl)ethanone;ethane
PubChem CID91396901
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name1-(3-aminothiophen-2-yl)ethanone;ethane
SMILESCC.CC(=O)c1sccc1N
InChIInChI=1S/C6H7NOS.C2H6/c1-4(8)6-5(7)2-3-9-6;1-2/h2-3H,7H2,1H3;1-2H3
InChIKeyRRUPPWRUFSZUIV-UHFFFAOYSA-N
XLogP2.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminothiophen-2-yl)ethanone;ethane?
The IUPAC name of 1-(3-aminothiophen-2-yl)ethanone;ethane (CID 91396901) is 1-(3-aminothiophen-2-yl)ethanone;ethane.
What is the SMILES notation for 1-(3-aminothiophen-2-yl)ethanone;ethane?
The canonical SMILES for 1-(3-aminothiophen-2-yl)ethanone;ethane is CC.CC(=O)c1sccc1N.
What is the InChIKey of 1-(3-aminothiophen-2-yl)ethanone;ethane?
The InChIKey is RRUPPWRUFSZUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS.C2H6/c1-4(8)6-5(7)2-3-9-6;1-2/h2-3H,7H2,1H3;1-2H3.
What are the key properties of 1-(3-aminothiophen-2-yl)ethanone;ethane?
1-(3-aminothiophen-2-yl)ethanone;ethane has a molecular weight of 171.26 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminothiophen-2-yl)ethanone;ethane is sourced from PubChem (CID 91396901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).