3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide

C14H23N3O2S — CID 103422789

IUPAC3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1c(N2CCCC(C)(C)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C14H23N3O2S/c1-14(2)5-4-7-17(8-6-14)13-10(19-3)9(15)11(20-13)12(16)18/h4-8,15H2,1-3H3,(H2,16,18)
InChIKeyTXRASAYGEPUXOP-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.45
Rot. Bonds3

About 3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide

3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide (PubChem CID 103422789) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
PubChem CID103422789
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1c(N2CCCC(C)(C)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C14H23N3O2S/c1-14(2)5-4-7-17(8-6-14)13-10(19-3)9(15)11(20-13)12(16)18/h4-8,15H2,1-3H3,(H2,16,18)
InChIKeyTXRASAYGEPUXOP-UHFFFAOYSA-N
XLogP2.45
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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)-4-methoxythiophene-2-carboxamide
CID 103506593
3-amino-4-cyano-5-(4,4-dimethylazepan-1-yl)thiophene-2-carboxamide
CID 103422771
methyl 4-amino-5-carbamoyl-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103421714
3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide
CID 103507599
3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103418763
3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
CID 103506664
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103525772
3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103422881
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methoxythiophene-2-carboxamide
CID 103419611
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
1-[3-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-4-methoxythiophen-2-yl]-2-methylpropan-1-one
CID 103505516

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide (CID 103422789) is 3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide is COc1c(N2CCCC(C)(C)CC2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide?
The InChIKey is TXRASAYGEPUXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-14(2)5-4-7-17(8-6-14)13-10(19-3)9(15)11(20-13)12(16)18/h4-8,15H2,1-3H3,(H2,16,18).
What are the key properties of 3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide?
3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 103422789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).