1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone

C15H26N2O2S — CID 103420761

IUPAC1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
SMILESCCN(CC(C)C)c1sc(C(C)=O)c(N)c1OC(C)C
InChIInChI=1S/C15H26N2O2S/c1-7-17(8-9(2)3)15-13(19-10(4)5)12(16)14(20-15)11(6)18/h9-10H,7-8,16H2,1-6H3
InChIKeyLKCXXENHNIORTF-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.80
Rot. Bonds7

About 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone

1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone (PubChem CID 103420761) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
PubChem CID103420761
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
SMILESCCN(CC(C)C)c1sc(C(C)=O)c(N)c1OC(C)C
InChIInChI=1S/C15H26N2O2S/c1-7-17(8-9(2)3)15-13(19-10(4)5)12(16)14(20-15)11(6)18/h9-10H,7-8,16H2,1-6H3
InChIKeyLKCXXENHNIORTF-UHFFFAOYSA-N
XLogP3.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one
CID 103420796
1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422418
methyl 3-amino-5-(diethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103419158
3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419241
methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103421004
1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103421072
3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421206
3-amino-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421207
1-[3-amino-5-(3-methylbutylamino)-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103425581
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422119
5-acetyl-4-amino-2-[bis(2-methylpropyl)amino]thiophene-3-carbonitrile
CID 103509838
5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103362501

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone (CID 103420761) is 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone is CCN(CC(C)C)c1sc(C(C)=O)c(N)c1OC(C)C.
What is the InChIKey of 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone?
The InChIKey is LKCXXENHNIORTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-7-17(8-9(2)3)15-13(19-10(4)5)12(16)14(20-15)11(6)18/h9-10H,7-8,16H2,1-6H3.
What are the key properties of 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone?
1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone has a molecular weight of 298.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone is sourced from PubChem (CID 103420761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).