N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide

C11H12FNO2S — CID 167232888

IUPACN-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(S)c(F)c2)COC1
InChIInChI=1S/C11H12FNO2S/c1-11(5-15-6-11)10(14)13-7-2-3-9(16)8(12)4-7/h2-4,16H,5-6H2,1H3,(H,13,14)
InChIKeyMVWRVBFMNYDQDJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.09
Rot. Bonds2

About N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide

N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide (PubChem CID 167232888) has the molecular formula C11H12FNO2S and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide
PubChem CID167232888
Molecular FormulaC11H12FNO2S
Molecular Weight241.29 g/mol
Exact Mass241.06
IUPAC NameN-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)Nc2ccc(S)c(F)c2)COC1
InChIInChI=1S/C11H12FNO2S/c1-11(5-15-6-11)10(14)13-7-2-3-9(16)8(12)4-7/h2-4,16H,5-6H2,1H3,(H,13,14)
InChIKeyMVWRVBFMNYDQDJ-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide
CID 172576185
N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide
CID 71278100
3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide
CID 146022356
N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185183
N-[3-[(5R,8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-3-methyloxetane-3-carboxamide
CID 90289826
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
CID 100784086
N-(5-fluoro-2-sulfanylphenyl)-1-methylcyclohexane-1-carboxamide
CID 22956373
N-(4-fluoro-3-pyrrol-1-ylphenyl)-4-methyloxane-4-carboxamide
CID 71878315
N-(5-chloro-2-pyridinyl)-3-methyloxetane-3-carboxamide
CID 146022433
3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid
CID 71282833
4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide
CID 66248653

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide (CID 167232888) is N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide is CC1(C(=O)Nc2ccc(S)c(F)c2)COC1.
What is the InChIKey of N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide?
The InChIKey is MVWRVBFMNYDQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2S/c1-11(5-15-6-11)10(14)13-7-2-3-9(16)8(12)4-7/h2-4,16H,5-6H2,1H3,(H,13,14).
What are the key properties of N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide?
N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 167232888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).