4-(3-chloropropylsulfonyl)-2-methylmorpholine

C8H16ClNO3S — CID 43653944

IUPAC4-(3-chloropropylsulfonyl)-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)CCCCl)CCO1
InChIInChI=1S/C8H16ClNO3S/c1-8-7-10(4-5-13-8)14(11,12)6-2-3-9/h8H,2-7H2,1H3
InChIKeyARGLJAQUSPESLI-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.67
Rot. Bonds4

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

4-(3-chloropropylsulfonyl)-2-methylmorpholine (PubChem CID 43653944) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 4-(3-chloropropylsulfonyl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(3-chloropropylsulfonyl)-2-methylmorpholine
PubChem CID43653944
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name4-(3-chloropropylsulfonyl)-2-methylmorpholine
SMILESCC1CN(S(=O)(=O)CCCCl)CCO1
InChIInChI=1S/C8H16ClNO3S/c1-8-7-10(4-5-13-8)14(11,12)6-2-3-9/h8H,2-7H2,1H3
InChIKeyARGLJAQUSPESLI-UHFFFAOYSA-N
XLogP0.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.67
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-(3-chloropropylsulfonyl)-2-methylmorpholine?
The IUPAC name of 4-(3-chloropropylsulfonyl)-2-methylmorpholine (CID 43653944) is 4-(3-chloropropylsulfonyl)-2-methylmorpholine.
What is the SMILES notation for 4-(3-chloropropylsulfonyl)-2-methylmorpholine?
The canonical SMILES for 4-(3-chloropropylsulfonyl)-2-methylmorpholine is CC1CN(S(=O)(=O)CCCCl)CCO1.
What is the InChIKey of 4-(3-chloropropylsulfonyl)-2-methylmorpholine?
The InChIKey is ARGLJAQUSPESLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-8-7-10(4-5-13-8)14(11,12)6-2-3-9/h8H,2-7H2,1H3.
What are the key properties of 4-(3-chloropropylsulfonyl)-2-methylmorpholine?
4-(3-chloropropylsulfonyl)-2-methylmorpholine has a molecular weight of 241.74 g/mol, XLogP of 0.67, 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-methylmorpholine is sourced from PubChem (CID 43653944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).