1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone

C14H23N3O2S — CID 103430824

IUPAC1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone
SMILESCCN1CCC(CNc2sc(C(C)=O)c(N)c2OC)C1
InChIInChI=1S/C14H23N3O2S/c1-4-17-6-5-10(8-17)7-16-14-12(19-3)11(15)13(20-14)9(2)18/h10,16H,4-8,15H2,1-3H3
InChIKeyZJZMXTVTJRHSEN-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.30
Rot. Bonds6

About 1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone

1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone (PubChem CID 103430824) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone
PubChem CID103430824
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone
SMILESCCN1CCC(CNc2sc(C(C)=O)c(N)c2OC)C1
InChIInChI=1S/C14H23N3O2S/c1-4-17-6-5-10(8-17)7-16-14-12(19-3)11(15)13(20-14)9(2)18/h10,16H,4-8,15H2,1-3H3
InChIKeyZJZMXTVTJRHSEN-UHFFFAOYSA-N
XLogP2.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-4-methoxy-5-[(1-methylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
CID 103431127
[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone
CID 103430251
1-[3-amino-4-methoxy-5-[(1-methylcyclopropyl)methylamino]thiophen-2-yl]ethanone
CID 114102753
ethyl 3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103383011
1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
CID 107416246
1-[3-amino-5-(cyclopentylmethylamino)-4-ethylsulfonylthiophen-2-yl]ethanone
CID 103427331
methyl 3-amino-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxylate
CID 103506141
1-[3-amino-4-methoxy-5-(piperidin-4-ylamino)thiophen-2-yl]ethanone
CID 103525555
methyl 5-amino-3-chloro-2-[(1-ethylpyrrolidin-3-yl)methylamino]benzoate
CID 107194299
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526554
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
4-O-ethyl 2-O-methyl 3-amino-5-(cyclopropylmethylamino)thiophene-2,4-dicarboxylate
CID 103424618

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone (CID 103430824) is 1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone is CCN1CCC(CNc2sc(C(C)=O)c(N)c2OC)C1.
What is the InChIKey of 1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone?
The InChIKey is ZJZMXTVTJRHSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-17-6-5-10(8-17)7-16-14-12(19-3)11(15)13(20-14)9(2)18/h10,16H,4-8,15H2,1-3H3.
What are the key properties of 1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone?
1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone has a molecular weight of 297.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]-4-methoxythiophen-2-yl]ethanone is sourced from PubChem (CID 103430824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).