2-(4-methylthiomorpholin-2-yl)acetamide

C7H14N2OS — CID 170615962

IUPAC2-(4-methylthiomorpholin-2-yl)acetamide
SMILESCN1CCSC(CC(N)=O)C1
InChIInChI=1S/C7H14N2OS/c1-9-2-3-11-6(5-9)4-7(8)10/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyITMUPAVKFKHGJM-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.09
Rot. Bonds2

About 2-(4-methylthiomorpholin-2-yl)acetamide

2-(4-methylthiomorpholin-2-yl)acetamide (PubChem CID 170615962) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is 2-(4-methylthiomorpholin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylthiomorpholin-2-yl)acetamide
PubChem CID170615962
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC Name2-(4-methylthiomorpholin-2-yl)acetamide
SMILESCN1CCSC(CC(N)=O)C1
InChIInChI=1S/C7H14N2OS/c1-9-2-3-11-6(5-9)4-7(8)10/h6H,2-5H2,1H3,(H2,8,10)
InChIKeyITMUPAVKFKHGJM-UHFFFAOYSA-N
XLogP-0.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiomorpholin-2-yl)acetamide?
The IUPAC name of 2-(4-methylthiomorpholin-2-yl)acetamide (CID 170615962) is 2-(4-methylthiomorpholin-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylthiomorpholin-2-yl)acetamide?
The canonical SMILES for 2-(4-methylthiomorpholin-2-yl)acetamide is CN1CCSC(CC(N)=O)C1.
What is the InChIKey of 2-(4-methylthiomorpholin-2-yl)acetamide?
The InChIKey is ITMUPAVKFKHGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-9-2-3-11-6(5-9)4-7(8)10/h6H,2-5H2,1H3,(H2,8,10).
What are the key properties of 2-(4-methylthiomorpholin-2-yl)acetamide?
2-(4-methylthiomorpholin-2-yl)acetamide has a molecular weight of 174.27 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiomorpholin-2-yl)acetamide is sourced from PubChem (CID 170615962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).