3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide

C10H11F3N2OS — CID 170876128

IUPAC3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide
SMILESNC(=O)CC(N)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)17-7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H2,15,16)
InChIKeyMXLKUMNQIUVNPR-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.17
Rot. Bonds4

About 3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide

3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide (PubChem CID 170876128) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is 3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide
PubChem CID170876128
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide
SMILESNC(=O)CC(N)c1cccc(SC(F)(F)F)c1
InChIInChI=1S/C10H11F3N2OS/c11-10(12,13)17-7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H2,15,16)
InChIKeyMXLKUMNQIUVNPR-UHFFFAOYSA-N
XLogP2.17
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
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3,4-dihydroxy-4-[4-(trifluoromethylsulfanyl)phenyl]butanamide
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3-amino-3-(3-nitrophenyl)propanamide
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3-amino-3-[4-(trifluoromethyl)phenyl]propanamide
CID 43147959
N-[3,4-dihydroxy-4-[3-(trifluoromethylsulfanyl)phenyl]butyl]acetamide
CID 171883576
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
3-oxo-4-phenyl-2-[3-(trifluoromethylsulfanyl)phenyl]butanenitrile
CID 54533788
1-(2-bromo-1-methoxyethyl)-3-(trifluoromethylsulfanyl)benzene
CID 154100789
(1S)-3-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]but-3-en-1-amine
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1-[3-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 21325272

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide?
The IUPAC name of 3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide (CID 170876128) is 3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide?
The canonical SMILES for 3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide is NC(=O)CC(N)c1cccc(SC(F)(F)F)c1.
What is the InChIKey of 3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide?
The InChIKey is MXLKUMNQIUVNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c11-10(12,13)17-7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H2,15,16).
What are the key properties of 3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide?
3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide has a molecular weight of 264.27 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-(trifluoromethylsulfanyl)phenyl]propanamide is sourced from PubChem (CID 170876128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).