1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one

C11H16N2OS — CID 103424660

IUPAC1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NCC2CC2)cc1N
InChIInChI=1S/C11H16N2OS/c1-2-9(14)11-8(12)5-10(15-11)13-6-7-3-4-7/h5,7,13H,2-4,6,12H2,1H3
InChIKeyGYZSGCHOGSEATQ-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.74
Rot. Bonds5

About 1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one

1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one (PubChem CID 103424660) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one
PubChem CID103424660
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NCC2CC2)cc1N
InChIInChI=1S/C11H16N2OS/c1-2-9(14)11-8(12)5-10(15-11)13-6-7-3-4-7/h5,7,13H,2-4,6,12H2,1H3
InChIKeyGYZSGCHOGSEATQ-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
1-[3-amino-5-[(4-methylmorpholin-2-yl)methylamino]thiophen-2-yl]propan-1-one
CID 103506797
1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423434
3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide
CID 103507144
[3-amino-5-[(1-ethylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-cyclopropylmethanone
CID 103430251
1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one
CID 106262781
1-[3-amino-5-(4,4,4-trifluorobutylamino)thiophen-2-yl]propan-1-one
CID 103505977
1-[3-amino-5-(5,5,5-trifluoropentylamino)thiophen-2-yl]propan-1-one
CID 103506034
1-[3-amino-5-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]thiophen-2-yl]propan-1-one
CID 103508261
1-[3-amino-5-[(2,4-difluorophenyl)methylamino]thiophen-2-yl]propan-1-one
CID 103525840
1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone
CID 114098802
1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one
CID 103507976

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one (CID 103424660) is 1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one is CCC(=O)c1sc(NCC2CC2)cc1N.
What is the InChIKey of 1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one?
The InChIKey is GYZSGCHOGSEATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-9(14)11-8(12)5-10(15-11)13-6-7-3-4-7/h5,7,13H,2-4,6,12H2,1H3.
What are the key properties of 1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one?
1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one has a molecular weight of 224.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one is sourced from PubChem (CID 103424660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).