2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide

C11H14FNOS — CID 42890475

IUPAC2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
SMILESCC(Sc1ccccc1F)C(=O)N(C)C
InChIInChI=1S/C11H14FNOS/c1-8(11(14)13(2)3)15-10-7-5-4-6-9(10)12/h4-8H,1-3H3
InChIKeyVITLSTIHEYXQAK-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.39
Rot. Bonds3

About 2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide

2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide (PubChem CID 42890475) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
PubChem CID42890475
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide
SMILESCC(Sc1ccccc1F)C(=O)N(C)C
InChIInChI=1S/C11H14FNOS/c1-8(11(14)13(2)3)15-10-7-5-4-6-9(10)12/h4-8H,1-3H3
InChIKeyVITLSTIHEYXQAK-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-Fluorophenyl)thio]acetamide
CID 2407366
N,N-dimethyl-3-[(4-methylphenyl)thio]propanamide
CID 893856
3-(Phenylthio)-1-(1-pyrrolidinyl)-1-propanone
CID 3316051
S-(4-fluorophenyl) N,N-dimethylcarbamothioate
CID 21161805
Acetamide, 2-(phenylthio)-N-butyl-N-ethyl-
CID 2164695
N-methyl-2-(phenylsulfanyl)acetamide
CID 965608
2-(4-Fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2200156
n-(2-Cyanoethyl)-2-((2,5-difluorophenyl)thio)-N-methylacetamide
CID 43395533
2-(p-fluorophenylthio)-1-[(S)-3-(methylthio)-1-pyrrolidinyl]-1-ethanone
CID 97427187
N,N-diethyl-2,2-difluoro-2-phenylsulfanylacetamide
CID 15152841
2-Fluoro-2-phenylsulfanylacetamide
CID 100930695
1-(4-Methylpiperazin-1-yl)-3-(phenylsulfanyl)propan-1-one
CID 7369393

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide (CID 42890475) is 2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide is CC(Sc1ccccc1F)C(=O)N(C)C.
What is the InChIKey of 2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide?
The InChIKey is VITLSTIHEYXQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c1-8(11(14)13(2)3)15-10-7-5-4-6-9(10)12/h4-8H,1-3H3.
What are the key properties of 2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide?
2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide has a molecular weight of 227.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanyl-N,N-dimethylpropanamide is sourced from PubChem (CID 42890475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).