4-(2-chloroethylsulfonyl)morpholine

C6H12ClNO3S — CID 60722873

IUPAC4-(2-chloroethylsulfonyl)morpholine
SMILESO=S(=O)(CCCl)N1CCOCC1
InChIInChI=1S/C6H12ClNO3S/c7-1-6-12(9,10)8-2-4-11-5-3-8/h1-6H2
InChIKeyLUULJPIVJBTNTD-UHFFFAOYSA-N
MW213.69 g/mol
LogP-0.11
Rot. Bonds3

About 4-(2-chloroethylsulfonyl)morpholine

4-(2-chloroethylsulfonyl)morpholine (PubChem CID 60722873) has the molecular formula C6H12ClNO3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 4-(2-chloroethylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(2-chloroethylsulfonyl)morpholine
PubChem CID60722873
Molecular FormulaC6H12ClNO3S
Molecular Weight213.69 g/mol
Exact Mass213.02
IUPAC Name4-(2-chloroethylsulfonyl)morpholine
SMILESO=S(=O)(CCCl)N1CCOCC1
InChIInChI=1S/C6H12ClNO3S/c7-1-6-12(9,10)8-2-4-11-5-3-8/h1-6H2
InChIKeyLUULJPIVJBTNTD-UHFFFAOYSA-N
XLogP-0.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethylsulfonyl)morpholine?
The IUPAC name of 4-(2-chloroethylsulfonyl)morpholine (CID 60722873) is 4-(2-chloroethylsulfonyl)morpholine.
What is the SMILES notation for 4-(2-chloroethylsulfonyl)morpholine?
The canonical SMILES for 4-(2-chloroethylsulfonyl)morpholine is O=S(=O)(CCCl)N1CCOCC1.
What is the InChIKey of 4-(2-chloroethylsulfonyl)morpholine?
The InChIKey is LUULJPIVJBTNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO3S/c7-1-6-12(9,10)8-2-4-11-5-3-8/h1-6H2.
What are the key properties of 4-(2-chloroethylsulfonyl)morpholine?
4-(2-chloroethylsulfonyl)morpholine has a molecular weight of 213.69 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethylsulfonyl)morpholine is sourced from PubChem (CID 60722873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).