3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide

C13H21N3O3S — CID 103506539

IUPAC3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCCC(C)(O)C2)c(OC)c1N
InChIInChI=1S/C13H21N3O3S/c1-13(18)5-4-6-16(7-13)12-9(19-3)8(14)10(20-12)11(17)15-2/h18H,4-7,14H2,1-3H3,(H,15,17)
InChIKeyLDDNARRTTKRSIC-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.05
Rot. Bonds3

About 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide

3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 103506539) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
PubChem CID103506539
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N2CCCC(C)(O)C2)c(OC)c1N
InChIInChI=1S/C13H21N3O3S/c1-13(18)5-4-6-16(7-13)12-9(19-3)8(14)10(20-12)11(17)15-2/h18H,4-7,14H2,1-3H3,(H,15,17)
InChIKeyLDDNARRTTKRSIC-UHFFFAOYSA-N
XLogP1.05
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506593
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
1-[3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]ethanone
CID 103417342
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-N-methylthiophene-2,4-dicarboxamide
CID 103506594
3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103417307
3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 106674824
3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
CID 103422789
1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone
CID 103422782
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophene-2,4-dicarboxamide
CID 103506605
3-amino-N-methyl-5-piperidin-1-yl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419914
3-amino-N-ethyl-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methylsulfanylthiophene-2-carboxamide
CID 103506559
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methoxythiophene-2-carboxamide
CID 103419611

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide (CID 103506539) is 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide is CNC(=O)c1sc(N2CCCC(C)(O)C2)c(OC)c1N.
What is the InChIKey of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is LDDNARRTTKRSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-13(18)5-4-6-16(7-13)12-9(19-3)8(14)10(20-12)11(17)15-2/h18H,4-7,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide?
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 1.05, 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-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 103506539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).