1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one

C13H13NOS — CID 116548804

IUPAC1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
SMILESNc1ccc(C(=O)CCc2ccsc2)cc1
InChIInChI=1S/C13H13NOS/c14-12-4-2-11(3-5-12)13(15)6-1-10-7-8-16-9-10/h2-5,7-9H,1,6,14H2
InChIKeyIYQDNNJXRBSPPO-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.15
Rot. Bonds4

About 1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one

1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one (PubChem CID 116548804) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
PubChem CID116548804
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one
SMILESNc1ccc(C(=O)CCc2ccsc2)cc1
InChIInChI=1S/C13H13NOS/c14-12-4-2-11(3-5-12)13(15)6-1-10-7-8-16-9-10/h2-5,7-9H,1,6,14H2
InChIKeyIYQDNNJXRBSPPO-UHFFFAOYSA-N
XLogP3.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-aminoethyl)phenyl]-3-thiophen-3-ylpropan-1-one
CID 116577708
1-(4-butoxyphenyl)-3-thiophen-3-ylpropan-1-one
CID 105099876
1-(1,3-dihydro-2-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
CID 114972119
1-(2,3-dihydro-1H-isoindol-5-yl)-3-thiophen-3-ylpropan-1-one
CID 116613033
1-(2,6-dimethyl-4-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 107502319
1-phenyl-5-thiophen-3-ylpentan-1-one
CID 64503847
1-(2,3-dihydro-1-benzofuran-5-yl)-3-thiophen-3-ylpropan-1-one
CID 114972208
1-(5-methyl-3-pyridinyl)-3-thiophen-3-ylpropan-1-one
CID 105099908
3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 54905173
1-(3-methylthiophen-2-yl)-3-thiophen-3-ylpropan-1-one
CID 114972087
1-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 159232432
1-(4-propan-2-ylphenyl)-2-thiophen-3-ylethanone
CID 61053848

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one (CID 116548804) is 1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one is Nc1ccc(C(=O)CCc2ccsc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one?
The InChIKey is IYQDNNJXRBSPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c14-12-4-2-11(3-5-12)13(15)6-1-10-7-8-16-9-10/h2-5,7-9H,1,6,14H2.
What are the key properties of 1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one?
1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one has a molecular weight of 231.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 116548804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).