4-(2-chloroethylsulfanyl)morpholine

C6H12ClNOS — CID 57322344

IUPAC4-(2-chloroethylsulfanyl)morpholine
SMILESClCCSN1CCOCC1
InChIInChI=1S/C6H12ClNOS/c7-1-6-10-8-2-4-9-5-3-8/h1-6H2
InChIKeyHYAMJONPMFJPOX-UHFFFAOYSA-N
MW181.69 g/mol
LogP1.21
Rot. Bonds3

About 4-(2-chloroethylsulfanyl)morpholine

4-(2-chloroethylsulfanyl)morpholine (PubChem CID 57322344) has the molecular formula C6H12ClNOS and a molecular weight of 181.69 g/mol. Its IUPAC name is 4-(2-chloroethylsulfanyl)morpholine.

Molecular Properties

Compound Name4-(2-chloroethylsulfanyl)morpholine
PubChem CID57322344
Molecular FormulaC6H12ClNOS
Molecular Weight181.69 g/mol
Exact Mass181.03
IUPAC Name4-(2-chloroethylsulfanyl)morpholine
SMILESClCCSN1CCOCC1
InChIInChI=1S/C6H12ClNOS/c7-1-6-10-8-2-4-9-5-3-8/h1-6H2
InChIKeyHYAMJONPMFJPOX-UHFFFAOYSA-N
XLogP1.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.69
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-(2-chloroethylsulfanyl)morpholine?
The IUPAC name of 4-(2-chloroethylsulfanyl)morpholine (CID 57322344) is 4-(2-chloroethylsulfanyl)morpholine.
What is the SMILES notation for 4-(2-chloroethylsulfanyl)morpholine?
The canonical SMILES for 4-(2-chloroethylsulfanyl)morpholine is ClCCSN1CCOCC1.
What is the InChIKey of 4-(2-chloroethylsulfanyl)morpholine?
The InChIKey is HYAMJONPMFJPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNOS/c7-1-6-10-8-2-4-9-5-3-8/h1-6H2.
What are the key properties of 4-(2-chloroethylsulfanyl)morpholine?
4-(2-chloroethylsulfanyl)morpholine has a molecular weight of 181.69 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethylsulfanyl)morpholine is sourced from PubChem (CID 57322344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).