2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide

C12H16N2O2S — CID 106495136

IUPAC2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESNC(=O)c1cc(SCC2CCCO2)ccc1N
InChIInChI=1S/C12H16N2O2S/c13-11-4-3-9(6-10(11)12(14)15)17-7-8-2-1-5-16-8/h3-4,6,8H,1-2,5,7,13H2,(H2,14,15)
InChIKeyJFLQQVMLWFOKDG-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.64
Rot. Bonds4

About 2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide

2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide (PubChem CID 106495136) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound Name2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide
PubChem CID106495136
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide
SMILESNC(=O)c1cc(SCC2CCCO2)ccc1N
InChIInChI=1S/C12H16N2O2S/c13-11-4-3-9(6-10(11)12(14)15)17-7-8-2-1-5-16-8/h3-4,6,8H,1-2,5,7,13H2,(H2,14,15)
InChIKeyJFLQQVMLWFOKDG-UHFFFAOYSA-N
XLogP1.64
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.64
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

2-bromo-N'-hydroxy-4-(oxolan-2-ylmethylsulfanyl)benzenecarboximidamide
CID 107279902
2-amino-4-(oxolan-2-ylmethylsulfanyl)benzonitrile
CID 106494047
4-(oxolan-2-ylmethylsulfanyl)aniline
CID 43299447
1-[2-chloro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanone
CID 106494659
4-(oxan-2-ylmethylsulfanyl)aniline
CID 43299346
2-amino-5-cyclohexylsulfanylbenzamide
CID 55136321
4-bromo-2-(oxan-2-ylmethylsulfanyl)aniline
CID 79533178
2-[(4-phenylphenyl)sulfanylmethyl]oxolane
CID 60518989
3-methyl-5-(oxolan-2-ylmethylsulfanyl)aniline
CID 106493960
5-amino-3-chloro-2-(oxolan-2-ylmethylsulfanyl)benzoic acid
CID 107198873
2-methyl-N-[[2-methyl-4-(oxolan-2-ylmethylsulfanyl)phenyl]methyl]propan-2-amine
CID 106496534
4-chloro-2-(oxolan-2-ylmethylsulfanyl)benzoic acid
CID 106495939

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide?
The IUPAC name of 2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide (CID 106495136) is 2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for 2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for 2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide is NC(=O)c1cc(SCC2CCCO2)ccc1N.
What is the InChIKey of 2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide?
The InChIKey is JFLQQVMLWFOKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c13-11-4-3-9(6-10(11)12(14)15)17-7-8-2-1-5-16-8/h3-4,6,8H,1-2,5,7,13H2,(H2,14,15).
What are the key properties of 2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide?
2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide has a molecular weight of 252.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(oxolan-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 106495136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).