N-(morpholine-4-carbothioyl)benzamide

C12H14N2O2S — CID 696258

IUPACN-(morpholine-4-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCOCC1)c1ccccc1
InChIInChI=1S/C12H14N2O2S/c15-11(10-4-2-1-3-5-10)13-12(17)14-6-8-16-9-7-14/h1-5H,6-9H2,(H,13,15,17)
InChIKeyOHHBPERPNJLQLV-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.03
Rot. Bonds1

About N-(morpholine-4-carbothioyl)benzamide

N-(morpholine-4-carbothioyl)benzamide (PubChem CID 696258) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(morpholine-4-carbothioyl)benzamide.

Molecular Properties

Compound NameN-(morpholine-4-carbothioyl)benzamide
PubChem CID696258
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(morpholine-4-carbothioyl)benzamide
SMILESO=C(NC(=S)N1CCOCC1)c1ccccc1
InChIInChI=1S/C12H14N2O2S/c15-11(10-4-2-1-3-5-10)13-12(17)14-6-8-16-9-7-14/h1-5H,6-9H2,(H,13,15,17)
InChIKeyOHHBPERPNJLQLV-UHFFFAOYSA-N
XLogP1.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
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-(morpholine-4-carbothioyl)benzamide?
The IUPAC name of N-(morpholine-4-carbothioyl)benzamide (CID 696258) is N-(morpholine-4-carbothioyl)benzamide.
What is the SMILES notation for N-(morpholine-4-carbothioyl)benzamide?
The canonical SMILES for N-(morpholine-4-carbothioyl)benzamide is O=C(NC(=S)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-(morpholine-4-carbothioyl)benzamide?
The InChIKey is OHHBPERPNJLQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-11(10-4-2-1-3-5-10)13-12(17)14-6-8-16-9-7-14/h1-5H,6-9H2,(H,13,15,17).
What are the key properties of N-(morpholine-4-carbothioyl)benzamide?
N-(morpholine-4-carbothioyl)benzamide has a molecular weight of 250.32 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholine-4-carbothioyl)benzamide is sourced from PubChem (CID 696258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).