2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide

C12H14N2O2S — CID 2992082

IUPAC2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide
SMILESO=C(CC1SCCNC1=O)Nc1ccccc1
InChIInChI=1S/C12H14N2O2S/c15-11(14-9-4-2-1-3-5-9)8-10-12(16)13-6-7-17-10/h1-5,10H,6-8H2,(H,13,16)(H,14,15)
InChIKeyYYJJDPBXCFGOQT-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.25
Rot. Bonds3

About 2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide

2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide (PubChem CID 2992082) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide
PubChem CID2992082
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide
SMILESO=C(CC1SCCNC1=O)Nc1ccccc1
InChIInChI=1S/C12H14N2O2S/c15-11(14-9-4-2-1-3-5-9)8-10-12(16)13-6-7-17-10/h1-5,10H,6-8H2,(H,13,16)(H,14,15)
InChIKeyYYJJDPBXCFGOQT-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide?
The IUPAC name of 2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide (CID 2992082) is 2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide?
The canonical SMILES for 2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide is O=C(CC1SCCNC1=O)Nc1ccccc1.
What is the InChIKey of 2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide?
The InChIKey is YYJJDPBXCFGOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-11(14-9-4-2-1-3-5-9)8-10-12(16)13-6-7-17-10/h1-5,10H,6-8H2,(H,13,16)(H,14,15).
What are the key properties of 2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide?
2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide has a molecular weight of 250.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxothiomorpholin-2-yl)-N-phenylacetamide is sourced from PubChem (CID 2992082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).