2-methylsulfanyl-1-thiomorpholin-4-ylethanone

C7H13NOS2 — CID 131179282

IUPAC2-methylsulfanyl-1-thiomorpholin-4-ylethanone
SMILESCSCC(=O)N1CCSCC1
InChIInChI=1S/C7H13NOS2/c1-10-6-7(9)8-2-4-11-5-3-8/h2-6H2,1H3
InChIKeyLINQAKMOPHVWFZ-UHFFFAOYSA-N
MW191.32 g/mol
LogP0.92
Rot. Bonds2

About 2-methylsulfanyl-1-thiomorpholin-4-ylethanone

2-methylsulfanyl-1-thiomorpholin-4-ylethanone (PubChem CID 131179282) has the molecular formula C7H13NOS2 and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-methylsulfanyl-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-methylsulfanyl-1-thiomorpholin-4-ylethanone
PubChem CID131179282
Molecular FormulaC7H13NOS2
Molecular Weight191.32 g/mol
Exact Mass191.04
IUPAC Name2-methylsulfanyl-1-thiomorpholin-4-ylethanone
SMILESCSCC(=O)N1CCSCC1
InChIInChI=1S/C7H13NOS2/c1-10-6-7(9)8-2-4-11-5-3-8/h2-6H2,1H3
InChIKeyLINQAKMOPHVWFZ-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-methylsulfanyl-1-thiomorpholin-4-ylethanone (CID 131179282) is 2-methylsulfanyl-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-methylsulfanyl-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-methylsulfanyl-1-thiomorpholin-4-ylethanone is CSCC(=O)N1CCSCC1.
What is the InChIKey of 2-methylsulfanyl-1-thiomorpholin-4-ylethanone?
The InChIKey is LINQAKMOPHVWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS2/c1-10-6-7(9)8-2-4-11-5-3-8/h2-6H2,1H3.
What are the key properties of 2-methylsulfanyl-1-thiomorpholin-4-ylethanone?
2-methylsulfanyl-1-thiomorpholin-4-ylethanone has a molecular weight of 191.32 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 131179282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).