3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide

C13H21N3O2S — CID 103506581

IUPAC3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(N2CCCC(C)(O)C2)cc1N
InChIInChI=1S/C13H21N3O2S/c1-13(18)5-4-6-16(8-13)10-7-9(14)11(19-10)12(17)15(2)3/h7,18H,4-6,8,14H2,1-3H3
InChIKeyFNNOZUDSAGRBNJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.38
Rot. Bonds2

About 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide

3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide (PubChem CID 103506581) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
PubChem CID103506581
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(N2CCCC(C)(O)C2)cc1N
InChIInChI=1S/C13H21N3O2S/c1-13(18)5-4-6-16(8-13)10-7-9(14)11(19-10)12(17)15(2)3/h7,18H,4-6,8,14H2,1-3H3
InChIKeyFNNOZUDSAGRBNJ-UHFFFAOYSA-N
XLogP1.38
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide (CID 103506581) is 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide is CN(C)C(=O)c1sc(N2CCCC(C)(O)C2)cc1N.
What is the InChIKey of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is FNNOZUDSAGRBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-13(18)5-4-6-16(8-13)10-7-9(14)11(19-10)12(17)15(2)3/h7,18H,4-6,8,14H2,1-3H3.
What are the key properties of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide?
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103506581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).