4-(1-chloropropylsulfonyl)morpholine

C7H14ClNO3S — CID 24975915

IUPAC4-(1-chloropropylsulfonyl)morpholine
SMILESCCC(Cl)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H14ClNO3S/c1-2-7(8)13(10,11)9-3-5-12-6-4-9/h7H,2-6H2,1H3
InChIKeyRPMHUFVQFJTTDG-UHFFFAOYSA-N
MW227.71 g/mol
LogP0.62
Rot. Bonds3

About 4-(1-chloropropylsulfonyl)morpholine

4-(1-chloropropylsulfonyl)morpholine (PubChem CID 24975915) has the molecular formula C7H14ClNO3S and a molecular weight of 227.71 g/mol. Its IUPAC name is 4-(1-chloropropylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(1-chloropropylsulfonyl)morpholine
PubChem CID24975915
Molecular FormulaC7H14ClNO3S
Molecular Weight227.71 g/mol
Exact Mass227.04
IUPAC Name4-(1-chloropropylsulfonyl)morpholine
SMILESCCC(Cl)S(=O)(=O)N1CCOCC1
InChIInChI=1S/C7H14ClNO3S/c1-2-7(8)13(10,11)9-3-5-12-6-4-9/h7H,2-6H2,1H3
InChIKeyRPMHUFVQFJTTDG-UHFFFAOYSA-N
XLogP0.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1-chloropropylsulfonyl)morpholine 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-(1-chloropropylsulfonyl)morpholine?
The IUPAC name of 4-(1-chloropropylsulfonyl)morpholine (CID 24975915) is 4-(1-chloropropylsulfonyl)morpholine.
What is the SMILES notation for 4-(1-chloropropylsulfonyl)morpholine?
The canonical SMILES for 4-(1-chloropropylsulfonyl)morpholine is CCC(Cl)S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(1-chloropropylsulfonyl)morpholine?
The InChIKey is RPMHUFVQFJTTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO3S/c1-2-7(8)13(10,11)9-3-5-12-6-4-9/h7H,2-6H2,1H3.
What are the key properties of 4-(1-chloropropylsulfonyl)morpholine?
4-(1-chloropropylsulfonyl)morpholine has a molecular weight of 227.71 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloropropylsulfonyl)morpholine is sourced from PubChem (CID 24975915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).