5-amino-2-(oxetan-3-ylsulfanyl)benzamide

C10H12N2O2S — CID 79327199

IUPAC5-amino-2-(oxetan-3-ylsulfanyl)benzamide
SMILESNC(=O)c1cc(N)ccc1SC1COC1
InChIInChI=1S/C10H12N2O2S/c11-6-1-2-9(8(3-6)10(12)13)15-7-4-14-5-7/h1-3,7H,4-5,11H2,(H2,12,13)
InChIKeyIMFUGHHEOLRCFT-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.86
Rot. Bonds3

About 5-amino-2-(oxetan-3-ylsulfanyl)benzamide

5-amino-2-(oxetan-3-ylsulfanyl)benzamide (PubChem CID 79327199) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-amino-2-(oxetan-3-ylsulfanyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(oxetan-3-ylsulfanyl)benzamide
PubChem CID79327199
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name5-amino-2-(oxetan-3-ylsulfanyl)benzamide
SMILESNC(=O)c1cc(N)ccc1SC1COC1
InChIInChI=1S/C10H12N2O2S/c11-6-1-2-9(8(3-6)10(12)13)15-7-4-14-5-7/h1-3,7H,4-5,11H2,(H2,12,13)
InChIKeyIMFUGHHEOLRCFT-UHFFFAOYSA-N
XLogP0.86
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-4-(oxetan-3-ylsulfanyl)aniline
CID 79326933
5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide
CID 107198794
5-fluoro-2-(oxetan-3-ylsulfanyl)aniline
CID 79326153
5-chloro-N'-hydroxy-2-(oxetan-3-ylsulfanyl)benzenecarboximidamide
CID 79326178
5-amino-2-(2-methylpropylsulfanyl)benzamide
CID 61306670
2-amino-5-(oxetan-3-ylsulfanyl)pyridine-4-carboxylic acid
CID 130479598
5-amino-2-(2-chlorophenyl)sulfanylbenzamide
CID 61314066
3-bromo-4-(oxolan-3-ylsulfanyl)aniline
CID 82840749
2-amino-4-(oxetan-3-ylsulfanyl)benzoic acid
CID 104501173
2-cyclopentylsulfanyl-5-nitrobenzamide
CID 84594639
5-amino-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)benzamide
CID 61305967
5-amino-2-(2-methoxyethylsulfanyl)benzamide
CID 61306151

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(oxetan-3-ylsulfanyl)benzamide?
The IUPAC name of 5-amino-2-(oxetan-3-ylsulfanyl)benzamide (CID 79327199) is 5-amino-2-(oxetan-3-ylsulfanyl)benzamide.
What is the SMILES notation for 5-amino-2-(oxetan-3-ylsulfanyl)benzamide?
The canonical SMILES for 5-amino-2-(oxetan-3-ylsulfanyl)benzamide is NC(=O)c1cc(N)ccc1SC1COC1.
What is the InChIKey of 5-amino-2-(oxetan-3-ylsulfanyl)benzamide?
The InChIKey is IMFUGHHEOLRCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c11-6-1-2-9(8(3-6)10(12)13)15-7-4-14-5-7/h1-3,7H,4-5,11H2,(H2,12,13).
What are the key properties of 5-amino-2-(oxetan-3-ylsulfanyl)benzamide?
5-amino-2-(oxetan-3-ylsulfanyl)benzamide has a molecular weight of 224.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(oxetan-3-ylsulfanyl)benzamide is sourced from PubChem (CID 79327199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).