1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone

C15H24N2O2S — CID 103422782

IUPAC1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone
SMILESCOc1c(N2CCCC(C)(C)CC2)sc(C(C)=O)c1N
InChIInChI=1S/C15H24N2O2S/c1-10(18)13-11(16)12(19-4)14(20-13)17-8-5-6-15(2,3)7-9-17/h5-9,16H2,1-4H3
InChIKeyLTFIOLGZJKTDPD-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.56
Rot. Bonds3

About 1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone

1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone (PubChem CID 103422782) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone
PubChem CID103422782
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone
SMILESCOc1c(N2CCCC(C)(C)CC2)sc(C(C)=O)c1N
InChIInChI=1S/C15H24N2O2S/c1-10(18)13-11(16)12(19-4)14(20-13)17-8-5-6-15(2,3)7-9-17/h5-9,16H2,1-4H3
InChIKeyLTFIOLGZJKTDPD-UHFFFAOYSA-N
XLogP3.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
CID 103422789
1-[3-amino-5-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]ethanone
CID 103417342
1-[3-amino-5-(3,3-dimethylpiperidin-1-yl)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422514
5-acetyl-4-amino-2-(4,4-dimethylpiperidin-1-yl)thiophene-3-carbonitrile
CID 103421724
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506593
1-[3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophen-2-yl]ethanone
CID 103422876
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
3-amino-5-(azocan-1-yl)-4-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 103420679
1-(3-amino-4-methoxy-5-piperidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103419843
5-acetyl-4-amino-2-(3,3-dimethylpiperidin-1-yl)thiophene-3-carboxamide
CID 103422547

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone (CID 103422782) is 1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone is COc1c(N2CCCC(C)(C)CC2)sc(C(C)=O)c1N.
What is the InChIKey of 1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone?
The InChIKey is LTFIOLGZJKTDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-10(18)13-11(16)12(19-4)14(20-13)17-8-5-6-15(2,3)7-9-17/h5-9,16H2,1-4H3.
What are the key properties of 1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone?
1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone has a molecular weight of 296.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone is sourced from PubChem (CID 103422782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).