N-(oxolan-2-ylmethylcarbamothioyl)benzamide

C13H16N2O2S — CID 2909272

IUPACN-(oxolan-2-ylmethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C13H16N2O2S/c16-12(10-5-2-1-3-6-10)15-13(18)14-9-11-7-4-8-17-11/h1-3,5-6,11H,4,7-9H2,(H2,14,15,16,18)
InChIKeyGOVAVKKJJOYIJV-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.47
Rot. Bonds3

About N-(oxolan-2-ylmethylcarbamothioyl)benzamide

N-(oxolan-2-ylmethylcarbamothioyl)benzamide (PubChem CID 2909272) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(oxolan-2-ylmethylcarbamothioyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethylcarbamothioyl)benzamide
PubChem CID2909272
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(oxolan-2-ylmethylcarbamothioyl)benzamide
SMILESO=C(NC(=S)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C13H16N2O2S/c16-12(10-5-2-1-3-6-10)15-13(18)14-9-11-7-4-8-17-11/h1-3,5-6,11H,4,7-9H2,(H2,14,15,16,18)
InChIKeyGOVAVKKJJOYIJV-UHFFFAOYSA-N
XLogP1.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethylcarbamothioyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethylcarbamothioyl)benzamide (CID 2909272) is N-(oxolan-2-ylmethylcarbamothioyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethylcarbamothioyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethylcarbamothioyl)benzamide is O=C(NC(=S)NCC1CCCO1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethylcarbamothioyl)benzamide?
The InChIKey is GOVAVKKJJOYIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c16-12(10-5-2-1-3-6-10)15-13(18)14-9-11-7-4-8-17-11/h1-3,5-6,11H,4,7-9H2,(H2,14,15,16,18).
What are the key properties of N-(oxolan-2-ylmethylcarbamothioyl)benzamide?
N-(oxolan-2-ylmethylcarbamothioyl)benzamide has a molecular weight of 264.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethylcarbamothioyl)benzamide is sourced from PubChem (CID 2909272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).