2-fluoro-2-methyl-4-sulfanylbutanamide

C5H10FNOS — CID 130198971

IUPAC2-fluoro-2-methyl-4-sulfanylbutanamide
SMILESCC(F)(CCS)C(N)=O
InChIInChI=1S/C5H10FNOS/c1-5(6,2-3-9)4(7)8/h9H,2-3H2,1H3,(H2,7,8)
InChIKeyBAUNWYBIIGZEEP-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.52
Rot. Bonds3

About 2-fluoro-2-methyl-4-sulfanylbutanamide

2-fluoro-2-methyl-4-sulfanylbutanamide (PubChem CID 130198971) has the molecular formula C5H10FNOS and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-fluoro-2-methyl-4-sulfanylbutanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-4-sulfanylbutanamide
PubChem CID130198971
Molecular FormulaC5H10FNOS
Molecular Weight151.21 g/mol
Exact Mass151.05
IUPAC Name2-fluoro-2-methyl-4-sulfanylbutanamide
SMILESCC(F)(CCS)C(N)=O
InChIInChI=1S/C5H10FNOS/c1-5(6,2-3-9)4(7)8/h9H,2-3H2,1H3,(H2,7,8)
InChIKeyBAUNWYBIIGZEEP-UHFFFAOYSA-N
XLogP0.52
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-2-methylpentanamide
CID 134346431
(3R)-3-amino-3-methyl-5-sulfanylpentan-2-one
CID 146331601
2-methyl-2-(2-sulfanylethyl)propanedioic acid
CID 87653761
2,2-bis(sulfanyl)propanamide;hydrazine
CID 161266278
2,2,3-trifluoro-3-hydroxybutanamide
CID 123215830
4-amino-2,2-dimethylbutanamide
CID 23366310
2,2,3,3-tetramethylhexanediamide
CID 19832795
(2S)-2-hydroxy-2-methyl-N'-(2,2,2-trifluoroethyl)propanediamide
CID 87260139
2-hydroxy-2-methyl-N'-(3,3,4,4,4-pentafluorobutyl)propanediamide
CID 143546222
3-fluoro-3-methylhexan-2-one
CID 157210993
ethane;2,2,5,5-tetramethylhexanamide
CID 178049677
2,3,3-trifluoro-2-methylpropanamide
CID 139700951

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-4-sulfanylbutanamide?
The IUPAC name of 2-fluoro-2-methyl-4-sulfanylbutanamide (CID 130198971) is 2-fluoro-2-methyl-4-sulfanylbutanamide.
What is the SMILES notation for 2-fluoro-2-methyl-4-sulfanylbutanamide?
The canonical SMILES for 2-fluoro-2-methyl-4-sulfanylbutanamide is CC(F)(CCS)C(N)=O.
What is the InChIKey of 2-fluoro-2-methyl-4-sulfanylbutanamide?
The InChIKey is BAUNWYBIIGZEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNOS/c1-5(6,2-3-9)4(7)8/h9H,2-3H2,1H3,(H2,7,8).
What are the key properties of 2-fluoro-2-methyl-4-sulfanylbutanamide?
2-fluoro-2-methyl-4-sulfanylbutanamide has a molecular weight of 151.21 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-4-sulfanylbutanamide is sourced from PubChem (CID 130198971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).