3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide

C12H17FN2OS — CID 66220595

IUPAC3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide
SMILESCC(CN)SCCC(=O)Nc1ccccc1F
InChIInChI=1S/C12H17FN2OS/c1-9(8-14)17-7-6-12(16)15-11-5-3-2-4-10(11)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyVWMZKIBYSKIUJH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.23
Rot. Bonds6

About 3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide

3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide (PubChem CID 66220595) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide
PubChem CID66220595
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Name3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide
SMILESCC(CN)SCCC(=O)Nc1ccccc1F
InChIInChI=1S/C12H17FN2OS/c1-9(8-14)17-7-6-12(16)15-11-5-3-2-4-10(11)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyVWMZKIBYSKIUJH-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66242283
2-[3-(2-fluoroanilino)-3-oxopropyl]sulfanyl-3-methylbutanoic acid
CID 105354206
3-(3-aminobutylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 66234179
N-(2-fluorophenyl)butanamide
CID 849021
N-(2-fluorophenyl)hexanamide
CID 3481165
N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
CID 91820804
(2R)-1-aminopropan-2-ol;(2R,3R)-4-(2-fluoroanilino)-2,3-dihydroxy-4-oxobutanoic acid
CID 52911760
3-(2-amino-4-methylphenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 43302341
4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
3-[bis(2-methylpropyl)amino]-N-(2-fluorophenyl)propanamide
CID 52675226
3-(5-amino-2-chlorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 79128265
N-(3-amino-2-methylphenyl)-3-(1-hydroxypropan-2-ylsulfanyl)propanamide
CID 113373810

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide (CID 66220595) is 3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide is CC(CN)SCCC(=O)Nc1ccccc1F.
What is the InChIKey of 3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide?
The InChIKey is VWMZKIBYSKIUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-9(8-14)17-7-6-12(16)15-11-5-3-2-4-10(11)13/h2-5,9H,6-8,14H2,1H3,(H,15,16).
What are the key properties of 3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide?
3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide has a molecular weight of 256.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 66220595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).