4-(1-chloroethylsulfonyl)morpholine

C6H12ClNO3S — CID 24975916

IUPAC4-(1-chloroethylsulfonyl)morpholine
SMILESCC(Cl)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C6H12ClNO3S/c1-6(7)12(9,10)8-2-4-11-5-3-8/h6H,2-5H2,1H3
InChIKeyVNYVWAUOWIMMEV-UHFFFAOYSA-N
MW213.69 g/mol
LogP0.23
Rot. Bonds2

About 4-(1-chloroethylsulfonyl)morpholine

4-(1-chloroethylsulfonyl)morpholine (PubChem CID 24975916) has the molecular formula C6H12ClNO3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 4-(1-chloroethylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(1-chloroethylsulfonyl)morpholine
PubChem CID24975916
Molecular FormulaC6H12ClNO3S
Molecular Weight213.69 g/mol
Exact Mass213.02
IUPAC Name4-(1-chloroethylsulfonyl)morpholine
SMILESCC(Cl)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C6H12ClNO3S/c1-6(7)12(9,10)8-2-4-11-5-3-8/h6H,2-5H2,1H3
InChIKeyVNYVWAUOWIMMEV-UHFFFAOYSA-N
XLogP0.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 50.23
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-(1-chloroethylsulfonyl)morpholine?
The IUPAC name of 4-(1-chloroethylsulfonyl)morpholine (CID 24975916) is 4-(1-chloroethylsulfonyl)morpholine.
What is the SMILES notation for 4-(1-chloroethylsulfonyl)morpholine?
The canonical SMILES for 4-(1-chloroethylsulfonyl)morpholine is CC(Cl)S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(1-chloroethylsulfonyl)morpholine?
The InChIKey is VNYVWAUOWIMMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO3S/c1-6(7)12(9,10)8-2-4-11-5-3-8/h6H,2-5H2,1H3.
What are the key properties of 4-(1-chloroethylsulfonyl)morpholine?
4-(1-chloroethylsulfonyl)morpholine has a molecular weight of 213.69 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethylsulfonyl)morpholine is sourced from PubChem (CID 24975916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).