1-[5-(methylamino)thiophen-3-yl]ethanone

C7H9NOS — CID 170236941

IUPAC1-[5-(methylamino)thiophen-3-yl]ethanone
SMILESCNc1cc(C(C)=O)cs1
InChIInChI=1S/C7H9NOS/c1-5(9)6-3-7(8-2)10-4-6/h3-4,8H,1-2H3
InChIKeyVZRFYHJGRCTVLY-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.99
Rot. Bonds2

About 1-[5-(methylamino)thiophen-3-yl]ethanone

1-[5-(methylamino)thiophen-3-yl]ethanone (PubChem CID 170236941) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-[5-(methylamino)thiophen-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(methylamino)thiophen-3-yl]ethanone
PubChem CID170236941
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name1-[5-(methylamino)thiophen-3-yl]ethanone
SMILESCNc1cc(C(C)=O)cs1
InChIInChI=1S/C7H9NOS/c1-5(9)6-3-7(8-2)10-4-6/h3-4,8H,1-2H3
InChIKeyVZRFYHJGRCTVLY-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(methylamino)thiophen-3-yl]ethanone?
The IUPAC name of 1-[5-(methylamino)thiophen-3-yl]ethanone (CID 170236941) is 1-[5-(methylamino)thiophen-3-yl]ethanone.
What is the SMILES notation for 1-[5-(methylamino)thiophen-3-yl]ethanone?
The canonical SMILES for 1-[5-(methylamino)thiophen-3-yl]ethanone is CNc1cc(C(C)=O)cs1.
What is the InChIKey of 1-[5-(methylamino)thiophen-3-yl]ethanone?
The InChIKey is VZRFYHJGRCTVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-5(9)6-3-7(8-2)10-4-6/h3-4,8H,1-2H3.
What are the key properties of 1-[5-(methylamino)thiophen-3-yl]ethanone?
1-[5-(methylamino)thiophen-3-yl]ethanone has a molecular weight of 155.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methylamino)thiophen-3-yl]ethanone is sourced from PubChem (CID 170236941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).