1-(5-amino-3-ethylthiophen-2-yl)ethanone

C8H11NOS — CID 96631877

IUPAC1-(5-amino-3-ethylthiophen-2-yl)ethanone
SMILESCCc1cc(N)sc1C(C)=O
InChIInChI=1S/C8H11NOS/c1-3-6-4-7(9)11-8(6)5(2)10/h4H,3,9H2,1-2H3
InChIKeyDTCRXOBIYHNSAT-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.10
Rot. Bonds2

About 1-(5-amino-3-ethylthiophen-2-yl)ethanone

1-(5-amino-3-ethylthiophen-2-yl)ethanone (PubChem CID 96631877) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 1-(5-amino-3-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-3-ethylthiophen-2-yl)ethanone
PubChem CID96631877
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name1-(5-amino-3-ethylthiophen-2-yl)ethanone
SMILESCCc1cc(N)sc1C(C)=O
InChIInChI=1S/C8H11NOS/c1-3-6-4-7(9)11-8(6)5(2)10/h4H,3,9H2,1-2H3
InChIKeyDTCRXOBIYHNSAT-UHFFFAOYSA-N
XLogP2.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-ethylthiophen-2-yl)ethanone?
The IUPAC name of 1-(5-amino-3-ethylthiophen-2-yl)ethanone (CID 96631877) is 1-(5-amino-3-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(5-amino-3-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(5-amino-3-ethylthiophen-2-yl)ethanone is CCc1cc(N)sc1C(C)=O.
What is the InChIKey of 1-(5-amino-3-ethylthiophen-2-yl)ethanone?
The InChIKey is DTCRXOBIYHNSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-3-6-4-7(9)11-8(6)5(2)10/h4H,3,9H2,1-2H3.
What are the key properties of 1-(5-amino-3-ethylthiophen-2-yl)ethanone?
1-(5-amino-3-ethylthiophen-2-yl)ethanone has a molecular weight of 169.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 96631877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).