1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone

C14H22N2O2S — CID 103422154

IUPAC1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone
SMILESCOc1c(N(C)CC2CCCC2)sc(C(C)=O)c1N
InChIInChI=1S/C14H22N2O2S/c1-9(17)13-11(15)12(18-3)14(19-13)16(2)8-10-6-4-5-7-10/h10H,4-8,15H2,1-3H3
InChIKeyVAKRWAGCYQYEJP-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.17
Rot. Bonds5

About 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone

1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone (PubChem CID 103422154) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone
PubChem CID103422154
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone
SMILESCOc1c(N(C)CC2CCCC2)sc(C(C)=O)c1N
InChIInChI=1S/C14H22N2O2S/c1-9(17)13-11(15)12(18-3)14(19-13)16(2)8-10-6-4-5-7-10/h10H,4-8,15H2,1-3H3
InChIKeyVAKRWAGCYQYEJP-UHFFFAOYSA-N
XLogP3.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421492
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422119
1-[3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone
CID 103417945
1-[3-amino-5-[cyclopropylmethyl(methyl)amino]-4-methylsulfonylthiophen-2-yl]ethanone
CID 103509618
[3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 107403324
3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422116
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone
CID 103422109
3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide
CID 103417931
ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103509602
1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103421072
1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422418
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide
CID 103421451

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone (CID 103422154) is 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone is COc1c(N(C)CC2CCCC2)sc(C(C)=O)c1N.
What is the InChIKey of 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone?
The InChIKey is VAKRWAGCYQYEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9(17)13-11(15)12(18-3)14(19-13)16(2)8-10-6-4-5-7-10/h10H,4-8,15H2,1-3H3.
What are the key properties of 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone?
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone has a molecular weight of 282.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone is sourced from PubChem (CID 103422154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).