N-(2-thiomorpholin-4-ylethyl)acetamide

C8H16N2OS — CID 58837118

IUPACN-(2-thiomorpholin-4-ylethyl)acetamide
SMILESCC(=O)NCCN1CCSCC1
InChIInChI=1S/C8H16N2OS/c1-8(11)9-2-3-10-4-6-12-7-5-10/h2-7H2,1H3,(H,9,11)
InChIKeyRFRFDLLFVRDEMD-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.17
Rot. Bonds3

About N-(2-thiomorpholin-4-ylethyl)acetamide

N-(2-thiomorpholin-4-ylethyl)acetamide (PubChem CID 58837118) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)acetamide
PubChem CID58837118
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-(2-thiomorpholin-4-ylethyl)acetamide
SMILESCC(=O)NCCN1CCSCC1
InChIInChI=1S/C8H16N2OS/c1-8(11)9-2-3-10-4-6-12-7-5-10/h2-7H2,1H3,(H,9,11)
InChIKeyRFRFDLLFVRDEMD-UHFFFAOYSA-N
XLogP0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)acetamide?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)acetamide (CID 58837118) is N-(2-thiomorpholin-4-ylethyl)acetamide.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)acetamide?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)acetamide is CC(=O)NCCN1CCSCC1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)acetamide?
The InChIKey is RFRFDLLFVRDEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-8(11)9-2-3-10-4-6-12-7-5-10/h2-7H2,1H3,(H,9,11).
What are the key properties of N-(2-thiomorpholin-4-ylethyl)acetamide?
N-(2-thiomorpholin-4-ylethyl)acetamide has a molecular weight of 188.30 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)acetamide is sourced from PubChem (CID 58837118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).