2-(disulfanyl)-1-morpholin-4-ylethanone

C6H11NO2S2 — CID 144729362

IUPAC2-(disulfanyl)-1-morpholin-4-ylethanone
SMILESO=C(CSS)N1CCOCC1
InChIInChI=1S/C6H11NO2S2/c8-6(5-11-10)7-1-3-9-4-2-7/h10H,1-5H2
InChIKeyIFBGIQLITVUBNX-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.42
Rot. Bonds2

About 2-(disulfanyl)-1-morpholin-4-ylethanone

2-(disulfanyl)-1-morpholin-4-ylethanone (PubChem CID 144729362) has the molecular formula C6H11NO2S2 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(disulfanyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(disulfanyl)-1-morpholin-4-ylethanone
PubChem CID144729362
Molecular FormulaC6H11NO2S2
Molecular Weight193.29 g/mol
Exact Mass193.02
IUPAC Name2-(disulfanyl)-1-morpholin-4-ylethanone
SMILESO=C(CSS)N1CCOCC1
InChIInChI=1S/C6H11NO2S2/c8-6(5-11-10)7-1-3-9-4-2-7/h10H,1-5H2
InChIKeyIFBGIQLITVUBNX-UHFFFAOYSA-N
XLogP0.42
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(disulfanyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(disulfanyl)-1-morpholin-4-ylethanone (CID 144729362) is 2-(disulfanyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(disulfanyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(disulfanyl)-1-morpholin-4-ylethanone is O=C(CSS)N1CCOCC1.
What is the InChIKey of 2-(disulfanyl)-1-morpholin-4-ylethanone?
The InChIKey is IFBGIQLITVUBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S2/c8-6(5-11-10)7-1-3-9-4-2-7/h10H,1-5H2.
What are the key properties of 2-(disulfanyl)-1-morpholin-4-ylethanone?
2-(disulfanyl)-1-morpholin-4-ylethanone has a molecular weight of 193.29 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 144729362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).