N-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide

C13H17FN2O3S — CID 106495313

IUPACN-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide
SMILESNc1ccc(F)cc1NC(=O)CS(=O)CC1CCCO1
InChIInChI=1S/C13H17FN2O3S/c14-9-3-4-11(15)12(6-9)16-13(17)8-20(18)7-10-2-1-5-19-10/h3-4,6,10H,1-2,5,7-8,15H2,(H,16,17)
InChIKeyIPHDEECYSHYNCF-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.27
Rot. Bonds5

About N-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide

N-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide (PubChem CID 106495313) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide
PubChem CID106495313
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide
SMILESNc1ccc(F)cc1NC(=O)CS(=O)CC1CCCO1
InChIInChI=1S/C13H17FN2O3S/c14-9-3-4-11(15)12(6-9)16-13(17)8-20(18)7-10-2-1-5-19-10/h3-4,6,10H,1-2,5,7-8,15H2,(H,16,17)
InChIKeyIPHDEECYSHYNCF-UHFFFAOYSA-N
XLogP1.27
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide
CID 106495288
N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfinyl)acetamide
CID 62995762
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide
CID 62995341
N-(2-amino-4-fluorophenyl)-2-cyclopentylsulfinylacetamide
CID 63115470
N-(2-amino-5-fluorophenyl)-2-thiophen-2-ylsulfinylacetamide
CID 61304641
N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 104967022
4-fluoro-2-(oxolan-2-ylmethyl)aniline
CID 105449109
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699
N-(2-bromo-5-fluorophenyl)-3-(oxan-2-yl)propanamide
CID 113255462
2-(oxolan-2-ylmethylsulfinylmethyl)aniline
CID 106495315
4-amino-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119321173

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide (CID 106495313) is N-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide is Nc1ccc(F)cc1NC(=O)CS(=O)CC1CCCO1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide?
The InChIKey is IPHDEECYSHYNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c14-9-3-4-11(15)12(6-9)16-13(17)8-20(18)7-10-2-1-5-19-10/h3-4,6,10H,1-2,5,7-8,15H2,(H,16,17).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide?
N-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide has a molecular weight of 300.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide is sourced from PubChem (CID 106495313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).