3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide

C15H25N3O2S — CID 103418540

IUPAC3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
SMILESCOc1c(N2CC(C)CC(C)C2)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C15H25N3O2S/c1-9-6-10(2)8-18(7-9)15-12(20-5)11(16)13(21-15)14(19)17(3)4/h9-10H,6-8,16H2,1-5H3
InChIKeyFQZBYOPGPSGOEJ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.52
Rot. Bonds3

About 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide

3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide (PubChem CID 103418540) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
PubChem CID103418540
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
SMILESCOc1c(N2CC(C)CC(C)C2)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C15H25N3O2S/c1-9-6-10(2)8-18(7-9)15-12(20-5)11(16)13(21-15)14(19)17(3)4/h9-10H,6-8,16H2,1-5H3
InChIKeyFQZBYOPGPSGOEJ-UHFFFAOYSA-N
XLogP2.52
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide (CID 103418540) is 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide is COc1c(N2CC(C)CC(C)C2)sc(C(=O)N(C)C)c1N.
What is the InChIKey of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is FQZBYOPGPSGOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-9-6-10(2)8-18(7-9)15-12(20-5)11(16)13(21-15)14(19)17(3)4/h9-10H,6-8,16H2,1-5H3.
What are the key properties of 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide?
3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103418540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).