N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide

C10H12FNOS — CID 107027766

IUPACN-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide
SMILESCC(S)C(=O)N(C)c1ccccc1F
InChIInChI=1S/C10H12FNOS/c1-7(14)10(13)12(2)9-6-4-3-5-8(9)11/h3-7,14H,1-2H3
InChIKeyOEDPDYHBYYCICE-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.11
Rot. Bonds2

About N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide

N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide (PubChem CID 107027766) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide
PubChem CID107027766
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC NameN-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide
SMILESCC(S)C(=O)N(C)c1ccccc1F
InChIInChI=1S/C10H12FNOS/c1-7(14)10(13)12(2)9-6-4-3-5-8(9)11/h3-7,14H,1-2H3
InChIKeyOEDPDYHBYYCICE-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(2-fluorophenyl)-N,3-dimethylbutanamide
CID 79013183
2-[(2-fluorophenyl)-methylcarbamoyl]-3-methylbutanoic acid
CID 115186185
2-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylpropanamide
CID 115179779
N-(2-fluorophenyl)-N-methyl-2-sulfanylbenzamide
CID 107027760
N-(3-fluorophenyl)-N-methyl-2-sulfanylpropanamide
CID 107027780
3-amino-N-(2-fluorophenyl)-N,2,2,3-tetramethylbutanamide
CID 65267367
N-(2-fluorophenyl)-2,6-dihydroxy-N-methylbenzamide
CID 107689336
2-fluoro-N,N-di(propan-2-yl)aniline
CID 67920255
2-amino-N-(2-fluorophenyl)-5-methoxy-N-methylpentanamide
CID 81087999
2-chloro-N-[(2-fluorophenyl)-methylcarbamoyl]acetamide
CID 60724464
1-[[(2-fluorophenyl)-methylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81162694
N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107027756

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide?
The IUPAC name of N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide (CID 107027766) is N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide?
The canonical SMILES for N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide is CC(S)C(=O)N(C)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide?
The InChIKey is OEDPDYHBYYCICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-7(14)10(13)12(2)9-6-4-3-5-8(9)11/h3-7,14H,1-2H3.
What are the key properties of N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide?
N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide has a molecular weight of 213.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-methyl-2-sulfanylpropanamide is sourced from PubChem (CID 107027766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).