2-thiomorpholin-4-ylacetamide

C6H12N2OS — CID 18986743

IUPAC2-thiomorpholin-4-ylacetamide
SMILESNC(=O)CN1CCSCC1
InChIInChI=1S/C6H12N2OS/c7-6(9)5-8-1-3-10-4-2-8/h1-5H2,(H2,7,9)
InChIKeyWLHYXZOIQGMJPP-UHFFFAOYSA-N
MW160.24 g/mol
LogP-0.48
Rot. Bonds2

About 2-thiomorpholin-4-ylacetamide

2-thiomorpholin-4-ylacetamide (PubChem CID 18986743) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound Name2-thiomorpholin-4-ylacetamide
PubChem CID18986743
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name2-thiomorpholin-4-ylacetamide
SMILESNC(=O)CN1CCSCC1
InChIInChI=1S/C6H12N2OS/c7-6(9)5-8-1-3-10-4-2-8/h1-5H2,(H2,7,9)
InChIKeyWLHYXZOIQGMJPP-UHFFFAOYSA-N
XLogP-0.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-4-ylacetamide?
The IUPAC name of 2-thiomorpholin-4-ylacetamide (CID 18986743) is 2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for 2-thiomorpholin-4-ylacetamide?
The canonical SMILES for 2-thiomorpholin-4-ylacetamide is NC(=O)CN1CCSCC1.
What is the InChIKey of 2-thiomorpholin-4-ylacetamide?
The InChIKey is WLHYXZOIQGMJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c7-6(9)5-8-1-3-10-4-2-8/h1-5H2,(H2,7,9).
What are the key properties of 2-thiomorpholin-4-ylacetamide?
2-thiomorpholin-4-ylacetamide has a molecular weight of 160.24 g/mol, XLogP of -0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 18986743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).