1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone

C12H18N2O2S — CID 114098802

IUPAC1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCCOCC2CC2)cc1N
InChIInChI=1S/C12H18N2O2S/c1-8(15)12-10(13)6-11(17-12)14-4-5-16-7-9-2-3-9/h6,9,14H,2-5,7,13H2,1H3
InChIKeyZRVBOBNXSWSLFS-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.37
Rot. Bonds7

About 1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone

1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone (PubChem CID 114098802) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone
PubChem CID114098802
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(NCCOCC2CC2)cc1N
InChIInChI=1S/C12H18N2O2S/c1-8(15)12-10(13)6-11(17-12)14-4-5-16-7-9-2-3-9/h6,9,14H,2-5,7,13H2,1H3
InChIKeyZRVBOBNXSWSLFS-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-amino-5-(2-fluoroethylamino)thiophen-2-yl]ethanone
CID 130505186
1-[3-amino-5-(cyclopropylmethylamino)thiophen-2-yl]propan-1-one
CID 103424660
1-[3-amino-5-[3-(dimethylamino)propylamino]thiophen-2-yl]ethanone
CID 103426166
1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423434
3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432236
1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone
CID 103426543
2-(3-amino-4-hydroxyphenyl)-N-[2-(cyclopropylmethoxy)ethyl]acetamide
CID 166386957
3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide
CID 106017402
1-[3-amino-5-[(1-ethylcyclobutyl)methylamino]thiophen-2-yl]ethanone
CID 114110179
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
methyl 3-amino-5-(hexylamino)thiophene-2-carboxylate
CID 103420123

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone (CID 114098802) is 1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone is CC(=O)c1sc(NCCOCC2CC2)cc1N.
What is the InChIKey of 1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone?
The InChIKey is ZRVBOBNXSWSLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8(15)12-10(13)6-11(17-12)14-4-5-16-7-9-2-3-9/h6,9,14H,2-5,7,13H2,1H3.
What are the key properties of 1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone?
1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone has a molecular weight of 254.35 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-[2-(cyclopropylmethoxy)ethylamino]thiophen-2-yl]ethanone is sourced from PubChem (CID 114098802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).