4-(thiomorpholin-4-yldisulfanyl)morpholine

C8H16N2OS3 — CID 59107578

IUPAC4-(thiomorpholin-4-yldisulfanyl)morpholine
SMILESC1CN(SSN2CCSCC2)CCO1
InChIInChI=1S/C8H16N2OS3/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H2
InChIKeyMQBANKNOCQPWGZ-UHFFFAOYSA-N
MW252.43 g/mol
LogP1.58
Rot. Bonds3

About 4-(thiomorpholin-4-yldisulfanyl)morpholine

4-(thiomorpholin-4-yldisulfanyl)morpholine (PubChem CID 59107578) has the molecular formula C8H16N2OS3 and a molecular weight of 252.43 g/mol. Its IUPAC name is 4-(thiomorpholin-4-yldisulfanyl)morpholine.

Molecular Properties

Compound Name4-(thiomorpholin-4-yldisulfanyl)morpholine
PubChem CID59107578
Molecular FormulaC8H16N2OS3
Molecular Weight252.43 g/mol
Exact Mass252.04
IUPAC Name4-(thiomorpholin-4-yldisulfanyl)morpholine
SMILESC1CN(SSN2CCSCC2)CCO1
InChIInChI=1S/C8H16N2OS3/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H2
InChIKeyMQBANKNOCQPWGZ-UHFFFAOYSA-N
XLogP1.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(thiomorpholin-4-yldisulfanyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(thiomorpholin-4-yldisulfanyl)morpholine?
The IUPAC name of 4-(thiomorpholin-4-yldisulfanyl)morpholine (CID 59107578) is 4-(thiomorpholin-4-yldisulfanyl)morpholine.
What is the SMILES notation for 4-(thiomorpholin-4-yldisulfanyl)morpholine?
The canonical SMILES for 4-(thiomorpholin-4-yldisulfanyl)morpholine is C1CN(SSN2CCSCC2)CCO1.
What is the InChIKey of 4-(thiomorpholin-4-yldisulfanyl)morpholine?
The InChIKey is MQBANKNOCQPWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS3/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H2.
What are the key properties of 4-(thiomorpholin-4-yldisulfanyl)morpholine?
4-(thiomorpholin-4-yldisulfanyl)morpholine has a molecular weight of 252.43 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiomorpholin-4-yldisulfanyl)morpholine is sourced from PubChem (CID 59107578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).