2-(3-oxothiomorpholin-4-yl)acetamide

C6H10N2O2S — CID 13245542

IUPAC2-(3-oxothiomorpholin-4-yl)acetamide
SMILESNC(=O)CN1CCSCC1=O
InChIInChI=1S/C6H10N2O2S/c7-5(9)3-8-1-2-11-4-6(8)10/h1-4H2,(H2,7,9)
InChIKeyYPJFKVOKUVACAW-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.95
Rot. Bonds2

About 2-(3-oxothiomorpholin-4-yl)acetamide

2-(3-oxothiomorpholin-4-yl)acetamide (PubChem CID 13245542) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-(3-oxothiomorpholin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-oxothiomorpholin-4-yl)acetamide
PubChem CID13245542
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name2-(3-oxothiomorpholin-4-yl)acetamide
SMILESNC(=O)CN1CCSCC1=O
InChIInChI=1S/C6H10N2O2S/c7-5(9)3-8-1-2-11-4-6(8)10/h1-4H2,(H2,7,9)
InChIKeyYPJFKVOKUVACAW-UHFFFAOYSA-N
XLogP-0.95
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxothiomorpholin-4-yl)acetamide?
The IUPAC name of 2-(3-oxothiomorpholin-4-yl)acetamide (CID 13245542) is 2-(3-oxothiomorpholin-4-yl)acetamide.
What is the SMILES notation for 2-(3-oxothiomorpholin-4-yl)acetamide?
The canonical SMILES for 2-(3-oxothiomorpholin-4-yl)acetamide is NC(=O)CN1CCSCC1=O.
What is the InChIKey of 2-(3-oxothiomorpholin-4-yl)acetamide?
The InChIKey is YPJFKVOKUVACAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c7-5(9)3-8-1-2-11-4-6(8)10/h1-4H2,(H2,7,9).
What are the key properties of 2-(3-oxothiomorpholin-4-yl)acetamide?
2-(3-oxothiomorpholin-4-yl)acetamide has a molecular weight of 174.22 g/mol, XLogP of -0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxothiomorpholin-4-yl)acetamide is sourced from PubChem (CID 13245542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).