N-(3-sulfanylphenyl)oxetane-3-carboxamide

C10H11NO2S — CID 142573853

IUPACN-(3-sulfanylphenyl)oxetane-3-carboxamide
SMILESO=C(Nc1cccc(S)c1)C1COC1
InChIInChI=1S/C10H11NO2S/c12-10(7-5-13-6-7)11-8-2-1-3-9(14)4-8/h1-4,7,14H,5-6H2,(H,11,12)
InChIKeyDRJMCJNLFUCGPD-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.56
Rot. Bonds2

About N-(3-sulfanylphenyl)oxetane-3-carboxamide

N-(3-sulfanylphenyl)oxetane-3-carboxamide (PubChem CID 142573853) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(3-sulfanylphenyl)oxetane-3-carboxamide.

Molecular Properties

Compound NameN-(3-sulfanylphenyl)oxetane-3-carboxamide
PubChem CID142573853
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC NameN-(3-sulfanylphenyl)oxetane-3-carboxamide
SMILESO=C(Nc1cccc(S)c1)C1COC1
InChIInChI=1S/C10H11NO2S/c12-10(7-5-13-6-7)11-8-2-1-3-9(14)4-8/h1-4,7,14H,5-6H2,(H,11,12)
InChIKeyDRJMCJNLFUCGPD-UHFFFAOYSA-N
XLogP1.56
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.56
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-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-(3-acetylphenyl)oxolane-3-carboxamide
CID 61276696
N-(3-aminophenyl)oxane-3-carboxamide
CID 63011823
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
CID 114293301
N-[3-(bromomethyl)phenyl]oxolane-3-carboxamide
CID 114307353
N-(3-formylphenyl)oxane-3-carboxamide
CID 106912673
(3S)-N-[3-(cyclopentylamino)phenyl]oxane-3-carboxamide
CID 95629895
N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide
CID 51337572
N-[3-(thiane-4-carbonylamino)phenyl]thiane-4-carboxamide
CID 171577086
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfanylphenyl)oxetane-3-carboxamide?
The IUPAC name of N-(3-sulfanylphenyl)oxetane-3-carboxamide (CID 142573853) is N-(3-sulfanylphenyl)oxetane-3-carboxamide.
What is the SMILES notation for N-(3-sulfanylphenyl)oxetane-3-carboxamide?
The canonical SMILES for N-(3-sulfanylphenyl)oxetane-3-carboxamide is O=C(Nc1cccc(S)c1)C1COC1.
What is the InChIKey of N-(3-sulfanylphenyl)oxetane-3-carboxamide?
The InChIKey is DRJMCJNLFUCGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c12-10(7-5-13-6-7)11-8-2-1-3-9(14)4-8/h1-4,7,14H,5-6H2,(H,11,12).
What are the key properties of N-(3-sulfanylphenyl)oxetane-3-carboxamide?
N-(3-sulfanylphenyl)oxetane-3-carboxamide has a molecular weight of 209.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfanylphenyl)oxetane-3-carboxamide is sourced from PubChem (CID 142573853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).