1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone

C10H16N2O2S — CID 103417679

IUPAC1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone
SMILESCOCCN(C)c1cc(N)c(C(C)=O)s1
InChIInChI=1S/C10H16N2O2S/c1-7(13)10-8(11)6-9(15-10)12(2)4-5-14-3/h6H,4-5,11H2,1-3H3
InChIKeyQNANCORBSWEAHC-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.62
Rot. Bonds5

About 1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone

1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone (PubChem CID 103417679) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone
PubChem CID103417679
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone
SMILESCOCCN(C)c1cc(N)c(C(C)=O)s1
InChIInChI=1S/C10H16N2O2S/c1-7(13)10-8(11)6-9(15-10)12(2)4-5-14-3/h6H,4-5,11H2,1-3H3
InChIKeyQNANCORBSWEAHC-UHFFFAOYSA-N
XLogP1.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone (CID 103417679) is 1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone is COCCN(C)c1cc(N)c(C(C)=O)s1.
What is the InChIKey of 1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone?
The InChIKey is QNANCORBSWEAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7(13)10-8(11)6-9(15-10)12(2)4-5-14-3/h6H,4-5,11H2,1-3H3.
What are the key properties of 1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone?
1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone has a molecular weight of 228.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone is sourced from PubChem (CID 103417679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).