1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone

C15H22N2OS2 — CID 103506478

IUPAC1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone
SMILESCCC1CN(c2sc(C(C)=O)c(N)c2C2CC2)CCS1
InChIInChI=1S/C15H22N2OS2/c1-3-11-8-17(6-7-19-11)15-12(10-4-5-10)13(16)14(20-15)9(2)18/h10-11H,3-8,16H2,1-2H3
InChIKeyAVRDLNQMGJOLKZ-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.74
Rot. Bonds4

About 1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone

1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone (PubChem CID 103506478) has the molecular formula C15H22N2OS2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone
PubChem CID103506478
Molecular FormulaC15H22N2OS2
Molecular Weight310.49 g/mol
Exact Mass310.12
IUPAC Name1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone
SMILESCCC1CN(c2sc(C(C)=O)c(N)c2C2CC2)CCS1
InChIInChI=1S/C15H22N2OS2/c1-3-11-8-17(6-7-19-11)15-12(10-4-5-10)13(16)14(20-15)9(2)18/h10-11H,3-8,16H2,1-2H3
InChIKeyAVRDLNQMGJOLKZ-UHFFFAOYSA-N
XLogP3.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422591
1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419343
1-[3-amino-4-cyclopropyl-5-[4-(hydroxymethyl)piperidin-1-yl]thiophen-2-yl]ethanone
CID 103418331
4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103365547
methyl 3-amino-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxylate
CID 103506526
3-amino-4-cyclopropyl-N-methyl-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
CID 103507499
3-amino-4-cyclopropyl-5-(3-ethylpyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103506105
3-amino-N-ethyl-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
CID 103506506
1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone
CID 103506547
3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
CID 103419645
methyl 3-amino-4-cyclopropyl-5-(3,4-dimethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103507198
ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate
CID 103418809

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone (CID 103506478) is 1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone is CCC1CN(c2sc(C(C)=O)c(N)c2C2CC2)CCS1.
What is the InChIKey of 1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone?
The InChIKey is AVRDLNQMGJOLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS2/c1-3-11-8-17(6-7-19-11)15-12(10-4-5-10)13(16)14(20-15)9(2)18/h10-11H,3-8,16H2,1-2H3.
What are the key properties of 1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone?
1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone has a molecular weight of 310.49 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 103506478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).