[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone

C15H24N2O2S — CID 103420542

IUPAC[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
SMILESCCCCN(CC)c1sc(C(=O)C2CC2)c(N)c1OC
InChIInChI=1S/C15H24N2O2S/c1-4-6-9-17(5-2)15-13(19-3)11(16)14(20-15)12(18)10-7-8-10/h10H,4-9,16H2,1-3H3
InChIKeyKCRUIUWXWNXLJL-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.56
Rot. Bonds8

About [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone

[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone (PubChem CID 103420542) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
PubChem CID103420542
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
SMILESCCCCN(CC)c1sc(C(=O)C2CC2)c(N)c1OC
InChIInChI=1S/C15H24N2O2S/c1-4-6-9-17(5-2)15-13(19-3)11(16)14(20-15)12(18)10-7-8-10/h10H,4-9,16H2,1-3H3
InChIKeyKCRUIUWXWNXLJL-UHFFFAOYSA-N
XLogP3.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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

methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate
CID 103420554
[3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 107403324
1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103421072
3-amino-N-cyclopropyl-5-[ethyl(propyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421058
1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one
CID 103419257
[3-amino-5-[butyl(methyl)amino]-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103420433
(3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone
CID 103417487
[3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103422444
[3-amino-4-cyclopropyl-5-[methyl(propyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103421298
3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide
CID 103420443
[3-amino-4-methoxy-5-(4-methylpentylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103507066
methyl 3-amino-5-[ethyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103421004

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone (CID 103420542) is [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone is CCCCN(CC)c1sc(C(=O)C2CC2)c(N)c1OC.
What is the InChIKey of [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone?
The InChIKey is KCRUIUWXWNXLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-6-9-17(5-2)15-13(19-3)11(16)14(20-15)12(18)10-7-8-10/h10H,4-9,16H2,1-3H3.
What are the key properties of [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone has a molecular weight of 296.44 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103420542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).