1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone

C9H19NO2S — CID 134581118

IUPAC1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(S(C)(C)C)C1
InChIInChI=1S/C9H19NO2S/c1-8(11)10-5-6-12-9(7-10)13(2,3)4/h9H,5-7H2,1-4H3
InChIKeyOJHRAQUSOXYOBD-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.89
Rot. Bonds1

About 1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone

1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone (PubChem CID 134581118) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone
PubChem CID134581118
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(S(C)(C)C)C1
InChIInChI=1S/C9H19NO2S/c1-8(11)10-5-6-12-9(7-10)13(2,3)4/h9H,5-7H2,1-4H3
InChIKeyOJHRAQUSOXYOBD-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone (CID 134581118) is 1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone is CC(=O)N1CCOC(S(C)(C)C)C1.
What is the InChIKey of 1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone?
The InChIKey is OJHRAQUSOXYOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(11)10-5-6-12-9(7-10)13(2,3)4/h9H,5-7H2,1-4H3.
What are the key properties of 1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone?
1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone has a molecular weight of 205.32 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trimethyl-λ4-sulfanyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 134581118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).