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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Related Compounds

3-amino-5-(azocan-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 103420679
[3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 103506756
3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 106674824
3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-N,N-dimethyl-4-methylsulfanylthiophene-2-carboxamide
CID 103506683
3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
CID 103509806
methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103506297
3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103542422
3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-2-N,2-N-dimethylthiophene-2,4-dicarboxamide
CID 106675016
methyl 3-amino-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxylate
CID 103506526
3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
CID 103506506
5-(3,5-dimethylpiperidin-1-yl)-4-methoxy-1,2-thiazol-3-amine
CID 103381022
methyl 4-amino-5-cyano-2-(3,5-dimethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103418543

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).