3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide

C10H12F2N2OS — CID 119315962

IUPAC3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide
SMILESNCCC(=O)Nc1cccc(SC(F)F)c1
InChIInChI=1S/C10H12F2N2OS/c11-10(12)16-8-3-1-2-7(6-8)14-9(15)4-5-13/h1-3,6,10H,4-5,13H2,(H,14,15)
InChIKeyLUBUNUHGJIJKSP-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.29
Rot. Bonds5

About 3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide

3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide (PubChem CID 119315962) has the molecular formula C10H12F2N2OS and a molecular weight of 246.28 g/mol. Its IUPAC name is 3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide
PubChem CID119315962
Molecular FormulaC10H12F2N2OS
Molecular Weight246.28 g/mol
Exact Mass246.06
IUPAC Name3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide
SMILESNCCC(=O)Nc1cccc(SC(F)F)c1
InChIInChI=1S/C10H12F2N2OS/c11-10(12)16-8-3-1-2-7(6-8)14-9(15)4-5-13/h1-3,6,10H,4-5,13H2,(H,14,15)
InChIKeyLUBUNUHGJIJKSP-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(difluoromethylsulfanyl)phenyl]butanamide
CID 119315980
N-[3-(difluoromethylsulfanyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119770513
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide
CID 120591462
N-[3-(difluoromethylsulfanyl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119770523
N-[3-(difluoromethylsulfanyl)phenyl]acetamide
CID 4963031
4-amino-N-[3-(difluoromethylsulfanyl)phenyl]-3-methoxybutanamide;hydrochloride
CID 120591461
4-[3-(difluoromethylsulfanyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133790
4-amino-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 119262097
3-amino-N-[3-(difluoromethylsulfonyl)phenyl]propanamide
CID 119315938
2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide
CID 119770554
1-[3-(difluoromethylsulfanyl)phenyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 72688028
1-[3-(difluoromethylsulfanyl)phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110929150

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide?
The IUPAC name of 3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide (CID 119315962) is 3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide is NCCC(=O)Nc1cccc(SC(F)F)c1.
What is the InChIKey of 3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide?
The InChIKey is LUBUNUHGJIJKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2OS/c11-10(12)16-8-3-1-2-7(6-8)14-9(15)4-5-13/h1-3,6,10H,4-5,13H2,(H,14,15).
What are the key properties of 3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide?
3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide has a molecular weight of 246.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(difluoromethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 119315962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).