N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide

C12H15FN2OS — CID 61118898

IUPACN-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide
SMILESCCC(NC(=O)Cc1ccccc1F)C(N)=S
InChIInChI=1S/C12H15FN2OS/c1-2-10(12(14)17)15-11(16)7-8-5-3-4-6-9(8)13/h3-6,10H,2,7H2,1H3,(H2,14,17)(H,15,16)
InChIKeyVGJHYAKIXUOHBZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.55
Rot. Bonds5

About N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide

N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide (PubChem CID 61118898) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide
PubChem CID61118898
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC NameN-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide
SMILESCCC(NC(=O)Cc1ccccc1F)C(N)=S
InChIInChI=1S/C12H15FN2OS/c1-2-10(12(14)17)15-11(16)7-8-5-3-4-6-9(8)13/h3-6,10H,2,7H2,1H3,(H2,14,17)(H,15,16)
InChIKeyVGJHYAKIXUOHBZ-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-methylphenyl)acetamide
CID 61120290
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-phenylacetamide
CID 94514859
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-bromo-6-fluorobenzamide
CID 114559235
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
N-(2-amino-1-phenylethyl)-2-(2-fluorophenyl)acetamide
CID 63754506
phenyl N-(1-amino-1-sulfanylidenebutan-2-yl)carbamate
CID 61124407
2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 61244543

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide (CID 61118898) is N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide is CCC(NC(=O)Cc1ccccc1F)C(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide?
The InChIKey is VGJHYAKIXUOHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c1-2-10(12(14)17)15-11(16)7-8-5-3-4-6-9(8)13/h3-6,10H,2,7H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide?
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 61118898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).