4-(3-chloropropylsulfonyl)-2-ethylmorpholine

C9H18ClNO3S — CID 43654408

IUPAC4-(3-chloropropylsulfonyl)-2-ethylmorpholine
SMILESCCC1CN(S(=O)(=O)CCCCl)CCO1
InChIInChI=1S/C9H18ClNO3S/c1-2-9-8-11(5-6-14-9)15(12,13)7-3-4-10/h9H,2-8H2,1H3
InChIKeyCGOLGWOVPLJLTF-UHFFFAOYSA-N
MW255.77 g/mol
LogP1.06
Rot. Bonds5

About 4-(3-chloropropylsulfonyl)-2-ethylmorpholine

4-(3-chloropropylsulfonyl)-2-ethylmorpholine (PubChem CID 43654408) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 4-(3-chloropropylsulfonyl)-2-ethylmorpholine.

Molecular Properties

Compound Name4-(3-chloropropylsulfonyl)-2-ethylmorpholine
PubChem CID43654408
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name4-(3-chloropropylsulfonyl)-2-ethylmorpholine
SMILESCCC1CN(S(=O)(=O)CCCCl)CCO1
InChIInChI=1S/C9H18ClNO3S/c1-2-9-8-11(5-6-14-9)15(12,13)7-3-4-10/h9H,2-8H2,1H3
InChIKeyCGOLGWOVPLJLTF-UHFFFAOYSA-N
XLogP1.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-chloropropylsulfonyl)-2-ethylmorpholine 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-(3-chloropropylsulfonyl)-2-ethylmorpholine?
The IUPAC name of 4-(3-chloropropylsulfonyl)-2-ethylmorpholine (CID 43654408) is 4-(3-chloropropylsulfonyl)-2-ethylmorpholine.
What is the SMILES notation for 4-(3-chloropropylsulfonyl)-2-ethylmorpholine?
The canonical SMILES for 4-(3-chloropropylsulfonyl)-2-ethylmorpholine is CCC1CN(S(=O)(=O)CCCCl)CCO1.
What is the InChIKey of 4-(3-chloropropylsulfonyl)-2-ethylmorpholine?
The InChIKey is CGOLGWOVPLJLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-2-9-8-11(5-6-14-9)15(12,13)7-3-4-10/h9H,2-8H2,1H3.
What are the key properties of 4-(3-chloropropylsulfonyl)-2-ethylmorpholine?
4-(3-chloropropylsulfonyl)-2-ethylmorpholine has a molecular weight of 255.77 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropylsulfonyl)-2-ethylmorpholine is sourced from PubChem (CID 43654408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).