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

C16H24N2O2S — CID 107403324

IUPAC[3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
SMILESCCN(CC1CCC1)c1sc(C(=O)C2CC2)c(N)c1OC
InChIInChI=1S/C16H24N2O2S/c1-3-18(9-10-5-4-6-10)16-14(20-2)12(17)15(21-16)13(19)11-7-8-11/h10-11H,3-9,17H2,1-2H3
InChIKeyOGQRGCLWIILPTE-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.56
Rot. Bonds7

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

[3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone (PubChem CID 107403324) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is [3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
PubChem CID107403324
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name[3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
SMILESCCN(CC1CCC1)c1sc(C(=O)C2CC2)c(N)c1OC
InChIInChI=1S/C16H24N2O2S/c1-3-18(9-10-5-4-6-10)16-14(20-2)12(17)15(21-16)13(19)11-7-8-11/h10-11H,3-9,17H2,1-2H3
InChIKeyOGQRGCLWIILPTE-UHFFFAOYSA-N
XLogP3.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-amino-5-[butyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 103420542
[3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103422444
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421492
1-[3-amino-5-(diethylamino)-4-methoxythiophen-2-yl]propan-1-one
CID 103419257
3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 107403343
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103422154
1-[3-amino-5-[cyclopropylmethyl(ethyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422418
ethyl 3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxylate
CID 107403366
3-amino-N-cyclopropyl-5-[ethyl(propyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421058
(3-amino-5-ethylsulfanyl-4-methoxythiophen-2-yl)-cyclopropylmethanone
CID 103417487
1-[3-amino-5-[ethyl(propyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103421072
3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422409

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone (CID 107403324) is [3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone is CCN(CC1CCC1)c1sc(C(=O)C2CC2)c(N)c1OC.
What is the InChIKey of [3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone?
The InChIKey is OGQRGCLWIILPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-3-18(9-10-5-4-6-10)16-14(20-2)12(17)15(21-16)13(19)11-7-8-11/h10-11H,3-9,17H2,1-2H3.
What are the key properties of [3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone has a molecular weight of 308.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methoxythiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 107403324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).