5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide

C14H21N3O2S — CID 103422547

IUPAC5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide
SMILESCC(=O)c1sc(N2CCCC(C)(C)C2)c(C(N)=O)c1N
InChIInChI=1S/C14H21N3O2S/c1-8(18)11-10(15)9(12(16)19)13(20-11)17-6-4-5-14(2,3)7-17/h4-7,15H2,1-3H3,(H2,16,19)
InChIKeyGRDGIUNBHSIJKJ-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.26
Rot. Bonds3

About 5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide

5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide (PubChem CID 103422547) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide
PubChem CID103422547
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide
SMILESCC(=O)c1sc(N2CCCC(C)(C)C2)c(C(N)=O)c1N
InChIInChI=1S/C14H21N3O2S/c1-8(18)11-10(15)9(12(16)19)13(20-11)17-6-4-5-14(2,3)7-17/h4-7,15H2,1-3H3,(H2,16,19)
InChIKeyGRDGIUNBHSIJKJ-UHFFFAOYSA-N
XLogP2.26
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-4-amino-2-(3,3-dimethylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 103505594
5-acetyl-4-amino-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419870
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide
CID 103506605
1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422514
4-amino-2-(3-hydroxy-3-methylpiperidin-1-yl)-5-propanoylthiophene-3-carboxamide
CID 103506544
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-N-methylthiophene-2,4-dicarboxamide
CID 103506594
5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide
CID 103418844
1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone
CID 103422782
dimethyl 3-amino-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2,4-dicarboxylate
CID 103505574
1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone
CID 103506547
methyl 3-amino-5-(azepan-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103419607
4-amino-5-cyano-2-(4-hydroxy-4-methylazepan-1-yl)thiophene-3-carboxamide
CID 107409265

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide (CID 103422547) is 5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide is CC(=O)c1sc(N2CCCC(C)(C)C2)c(C(N)=O)c1N.
What is the InChIKey of 5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide?
The InChIKey is GRDGIUNBHSIJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-8(18)11-10(15)9(12(16)19)13(20-11)17-6-4-5-14(2,3)7-17/h4-7,15H2,1-3H3,(H2,16,19).
What are the key properties of 5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide?
5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 103422547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).