4-(3-chloropropylsulfonyl)-2,2-dimethylmorpholine

C9H18ClNO3S — CID 43653908

IUPAC4-(3-chloropropylsulfonyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)CCCCl)CCO1
InChIInChI=1S/C9H18ClNO3S/c1-9(2)8-11(5-6-14-9)15(12,13)7-3-4-10/h3-8H2,1-2H3
InChIKeyQBXIJIXYJSMHQQ-UHFFFAOYSA-N
MW255.77 g/mol
LogP1.06
Rot. Bonds4

About 4-(3-chloropropylsulfonyl)-2,2-dimethylmorpholine

4-(3-chloropropylsulfonyl)-2,2-dimethylmorpholine (PubChem CID 43653908) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 4-(3-chloropropylsulfonyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-(3-chloropropylsulfonyl)-2,2-dimethylmorpholine
PubChem CID43653908
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name4-(3-chloropropylsulfonyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)CCCCl)CCO1
InChIInChI=1S/C9H18ClNO3S/c1-9(2)8-11(5-6-14-9)15(12,13)7-3-4-10/h3-8H2,1-2H3
InChIKeyQBXIJIXYJSMHQQ-UHFFFAOYSA-N
XLogP1.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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)-2,2-dimethylmorpholine 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)-2,2-dimethylmorpholine?
The IUPAC name of 4-(3-chloropropylsulfonyl)-2,2-dimethylmorpholine (CID 43653908) is 4-(3-chloropropylsulfonyl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-(3-chloropropylsulfonyl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-(3-chloropropylsulfonyl)-2,2-dimethylmorpholine is CC1(C)CN(S(=O)(=O)CCCCl)CCO1.
What is the InChIKey of 4-(3-chloropropylsulfonyl)-2,2-dimethylmorpholine?
The InChIKey is QBXIJIXYJSMHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-9(2)8-11(5-6-14-9)15(12,13)7-3-4-10/h3-8H2,1-2H3.
What are the key properties of 4-(3-chloropropylsulfonyl)-2,2-dimethylmorpholine?
4-(3-chloropropylsulfonyl)-2,2-dimethylmorpholine has a molecular weight of 255.77 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropylsulfonyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 43653908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).