2-(2,2-dimethylthiomorpholin-4-yl)acetamide

C8H16N2OS — CID 115683629

IUPAC2-(2,2-dimethylthiomorpholin-4-yl)acetamide
SMILESCC1(C)CN(CC(N)=O)CCS1
InChIInChI=1S/C8H16N2OS/c1-8(2)6-10(3-4-12-8)5-7(9)11/h3-6H2,1-2H3,(H2,9,11)
InChIKeyGUDLZOSQUQRHCK-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.30
Rot. Bonds2

About 2-(2,2-dimethylthiomorpholin-4-yl)acetamide

2-(2,2-dimethylthiomorpholin-4-yl)acetamide (PubChem CID 115683629) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-(2,2-dimethylthiomorpholin-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,2-dimethylthiomorpholin-4-yl)acetamide
PubChem CID115683629
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name2-(2,2-dimethylthiomorpholin-4-yl)acetamide
SMILESCC1(C)CN(CC(N)=O)CCS1
InChIInChI=1S/C8H16N2OS/c1-8(2)6-10(3-4-12-8)5-7(9)11/h3-6H2,1-2H3,(H2,9,11)
InChIKeyGUDLZOSQUQRHCK-UHFFFAOYSA-N
XLogP0.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylthiomorpholin-4-yl)acetamide?
The IUPAC name of 2-(2,2-dimethylthiomorpholin-4-yl)acetamide (CID 115683629) is 2-(2,2-dimethylthiomorpholin-4-yl)acetamide.
What is the SMILES notation for 2-(2,2-dimethylthiomorpholin-4-yl)acetamide?
The canonical SMILES for 2-(2,2-dimethylthiomorpholin-4-yl)acetamide is CC1(C)CN(CC(N)=O)CCS1.
What is the InChIKey of 2-(2,2-dimethylthiomorpholin-4-yl)acetamide?
The InChIKey is GUDLZOSQUQRHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-8(2)6-10(3-4-12-8)5-7(9)11/h3-6H2,1-2H3,(H2,9,11).
What are the key properties of 2-(2,2-dimethylthiomorpholin-4-yl)acetamide?
2-(2,2-dimethylthiomorpholin-4-yl)acetamide has a molecular weight of 188.30 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylthiomorpholin-4-yl)acetamide is sourced from PubChem (CID 115683629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).