3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide

C12H15FN2O2S — CID 81181859

IUPAC3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide
SMILESNc1cc(F)cc(S(=O)CCC(=O)NC2CC2)c1
InChIInChI=1S/C12H15FN2O2S/c13-8-5-9(14)7-11(6-8)18(17)4-3-12(16)15-10-1-2-10/h5-7,10H,1-4,14H2,(H,15,16)
InChIKeyNJBMIRFUIFEBPW-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.18
Rot. Bonds5

About 3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide

3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide (PubChem CID 81181859) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide
PubChem CID81181859
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC Name3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide
SMILESNc1cc(F)cc(S(=O)CCC(=O)NC2CC2)c1
InChIInChI=1S/C12H15FN2O2S/c13-8-5-9(14)7-11(6-8)18(17)4-3-12(16)15-10-1-2-10/h5-7,10H,1-4,14H2,(H,15,16)
InChIKeyNJBMIRFUIFEBPW-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide
CID 81182603
3-(2-cyclopropylethylsulfinyl)-5-fluoroaniline
CID 81182349
N-(4-aminocyclohexyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)propanamide;hydrochloride
CID 119479128
N-cyclopentyl-3-[(S)-2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl]propanamide
CID 95761007
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide
CID 79386437
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
CID 79400649
3-(2-amino-6-bromo-4-fluorophenoxy)-N-cyclopropylpropanamide
CID 62626452
3-(2-amino-5-fluorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 79147919
N,N'-dicyclopropylbutanediamide
CID 5225156
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119390475
N-cyclopropyl-4-(3,4-diaminoanilino)butanamide
CID 106750979
3-[4-(aminomethyl)-2,6-difluorophenoxy]-N-cyclopropylpropanamide
CID 79886312

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide?
The IUPAC name of 3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide (CID 81181859) is 3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide?
The canonical SMILES for 3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide is Nc1cc(F)cc(S(=O)CCC(=O)NC2CC2)c1.
What is the InChIKey of 3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide?
The InChIKey is NJBMIRFUIFEBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c13-8-5-9(14)7-11(6-8)18(17)4-3-12(16)15-10-1-2-10/h5-7,10H,1-4,14H2,(H,15,16).
What are the key properties of 3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide?
3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide has a molecular weight of 270.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-fluorophenyl)sulfinyl-N-cyclopropylpropanamide is sourced from PubChem (CID 81181859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).