1,2-dithiomorpholin-4-ylethanone

C10H18N2OS2 — CID 90897876

IUPAC1,2-dithiomorpholin-4-ylethanone
SMILESO=C(CN1CCSCC1)N1CCSCC1
InChIInChI=1S/C10H18N2OS2/c13-10(12-3-7-15-8-4-12)9-11-1-5-14-6-2-11/h1-9H2
InChIKeyYHLMVFADWDHHKT-UHFFFAOYSA-N
MW246.40 g/mol
LogP0.61
Rot. Bonds2

About 1,2-dithiomorpholin-4-ylethanone

1,2-dithiomorpholin-4-ylethanone (PubChem CID 90897876) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1,2-dithiomorpholin-4-ylethanone.

Molecular Properties

Compound Name1,2-dithiomorpholin-4-ylethanone
PubChem CID90897876
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC Name1,2-dithiomorpholin-4-ylethanone
SMILESO=C(CN1CCSCC1)N1CCSCC1
InChIInChI=1S/C10H18N2OS2/c13-10(12-3-7-15-8-4-12)9-11-1-5-14-6-2-11/h1-9H2
InChIKeyYHLMVFADWDHHKT-UHFFFAOYSA-N
XLogP0.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dithiomorpholin-4-ylethanone?
The IUPAC name of 1,2-dithiomorpholin-4-ylethanone (CID 90897876) is 1,2-dithiomorpholin-4-ylethanone.
What is the SMILES notation for 1,2-dithiomorpholin-4-ylethanone?
The canonical SMILES for 1,2-dithiomorpholin-4-ylethanone is O=C(CN1CCSCC1)N1CCSCC1.
What is the InChIKey of 1,2-dithiomorpholin-4-ylethanone?
The InChIKey is YHLMVFADWDHHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2/c13-10(12-3-7-15-8-4-12)9-11-1-5-14-6-2-11/h1-9H2.
What are the key properties of 1,2-dithiomorpholin-4-ylethanone?
1,2-dithiomorpholin-4-ylethanone has a molecular weight of 246.40 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dithiomorpholin-4-ylethanone is sourced from PubChem (CID 90897876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).