3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide

C12H19N3O3S — CID 103506593

IUPAC3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1c(N2CCCC(C)(O)C2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O3S/c1-12(17)4-3-5-15(6-12)11-8(18-2)7(13)9(19-11)10(14)16/h17H,3-6,13H2,1-2H3,(H2,14,16)
InChIKeyOFZHNJOVOUGJPB-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.79
Rot. Bonds3

About 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide

3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide (PubChem CID 103506593) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide
PubChem CID103506593
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1c(N2CCCC(C)(O)C2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O3S/c1-12(17)4-3-5-15(6-12)11-8(18-2)7(13)9(19-11)10(14)16/h17H,3-6,13H2,1-2H3,(H2,14,16)
InChIKeyOFZHNJOVOUGJPB-UHFFFAOYSA-N
XLogP0.79
TPSA101.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide (CID 103506593) is 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide is COc1c(N2CCCC(C)(O)C2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide?
The InChIKey is OFZHNJOVOUGJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-12(17)4-3-5-15(6-12)11-8(18-2)7(13)9(19-11)10(14)16/h17H,3-6,13H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide?
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 103506593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).