2-methylsulfanyl-1-morpholin-4-ylethanone

C7H13NO2S — CID 20552968

IUPAC2-methylsulfanyl-1-morpholin-4-ylethanone
SMILESCSCC(=O)N1CCOCC1
InChIInChI=1S/C7H13NO2S/c1-11-6-7(9)8-2-4-10-5-3-8/h2-6H2,1H3
InChIKeyLCCHOQBUAMSLDO-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.21
Rot. Bonds2

About 2-methylsulfanyl-1-morpholin-4-ylethanone

2-methylsulfanyl-1-morpholin-4-ylethanone (PubChem CID 20552968) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-methylsulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-methylsulfanyl-1-morpholin-4-ylethanone
PubChem CID20552968
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name2-methylsulfanyl-1-morpholin-4-ylethanone
SMILESCSCC(=O)N1CCOCC1
InChIInChI=1S/C7H13NO2S/c1-11-6-7(9)8-2-4-10-5-3-8/h2-6H2,1H3
InChIKeyLCCHOQBUAMSLDO-UHFFFAOYSA-N
XLogP0.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-methylsulfanyl-1-morpholin-4-ylethanone (CID 20552968) is 2-methylsulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-methylsulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-methylsulfanyl-1-morpholin-4-ylethanone is CSCC(=O)N1CCOCC1.
What is the InChIKey of 2-methylsulfanyl-1-morpholin-4-ylethanone?
The InChIKey is LCCHOQBUAMSLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-11-6-7(9)8-2-4-10-5-3-8/h2-6H2,1H3.
What are the key properties of 2-methylsulfanyl-1-morpholin-4-ylethanone?
2-methylsulfanyl-1-morpholin-4-ylethanone has a molecular weight of 175.25 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 20552968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).