N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide

C11H15FN2O2S — CID 61286626

IUPACN-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide
SMILESCC(C)S(=O)CC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C11H15FN2O2S/c1-7(2)17(16)6-11(15)14-10-5-8(13)3-4-9(10)12/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyAMTOHQPNFKLAJY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.50
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide

N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide (PubChem CID 61286626) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide
PubChem CID61286626
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC NameN-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide
SMILESCC(C)S(=O)CC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C11H15FN2O2S/c1-7(2)17(16)6-11(15)14-10-5-8(13)3-4-9(10)12/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyAMTOHQPNFKLAJY-UHFFFAOYSA-N
XLogP1.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.50
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

N-(5-amino-2-fluorophenyl)-4-propan-2-ylsulfinylbutanamide
CID 61286836
N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61301651
N-(2-amino-4-methylphenyl)-2-propan-2-ylsulfinylacetamide
CID 61289452
N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide
CID 61286623
N-(5-amino-2-fluorophenyl)-2-(2-methylsulfonylethylsulfinyl)propanamide
CID 63659415
N-(5-amino-2-fluorophenyl)-4-tert-butylsulfinylbutanamide
CID 61304221
N-(5-amino-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 16789035
N-(5-amino-2-fluorophenyl)-2-(dipropylamino)propanamide
CID 16778555
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
N-(5-amino-2-fluorophenyl)-3-(2-methylbutylsulfanyl)propanamide
CID 107748890
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62924177

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide (CID 61286626) is N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide is CC(C)S(=O)CC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide?
The InChIKey is AMTOHQPNFKLAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-7(2)17(16)6-11(15)14-10-5-8(13)3-4-9(10)12/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide?
N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide has a molecular weight of 258.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide is sourced from PubChem (CID 61286626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).