4-(phenyldisulfanyl)morpholine

C10H13NOS2 — CID 21441533

IUPAC4-(phenyldisulfanyl)morpholine
SMILESc1ccc(SSN2CCOCC2)cc1
InChIInChI=1S/C10H13NOS2/c1-2-4-10(5-3-1)13-14-11-6-8-12-9-7-11/h1-5H,6-9H2
InChIKeyREZNQYHLRVASPB-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.67
Rot. Bonds3

About 4-(phenyldisulfanyl)morpholine

4-(phenyldisulfanyl)morpholine (PubChem CID 21441533) has the molecular formula C10H13NOS2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(phenyldisulfanyl)morpholine.

Molecular Properties

Compound Name4-(phenyldisulfanyl)morpholine
PubChem CID21441533
Molecular FormulaC10H13NOS2
Molecular Weight227.35 g/mol
Exact Mass227.04
IUPAC Name4-(phenyldisulfanyl)morpholine
SMILESc1ccc(SSN2CCOCC2)cc1
InChIInChI=1S/C10H13NOS2/c1-2-4-10(5-3-1)13-14-11-6-8-12-9-7-11/h1-5H,6-9H2
InChIKeyREZNQYHLRVASPB-UHFFFAOYSA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(phenyldisulfanyl)morpholine?
The IUPAC name of 4-(phenyldisulfanyl)morpholine (CID 21441533) is 4-(phenyldisulfanyl)morpholine.
What is the SMILES notation for 4-(phenyldisulfanyl)morpholine?
The canonical SMILES for 4-(phenyldisulfanyl)morpholine is c1ccc(SSN2CCOCC2)cc1.
What is the InChIKey of 4-(phenyldisulfanyl)morpholine?
The InChIKey is REZNQYHLRVASPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS2/c1-2-4-10(5-3-1)13-14-11-6-8-12-9-7-11/h1-5H,6-9H2.
What are the key properties of 4-(phenyldisulfanyl)morpholine?
4-(phenyldisulfanyl)morpholine has a molecular weight of 227.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenyldisulfanyl)morpholine is sourced from PubChem (CID 21441533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).