4-(3-chloropropyl)-3-ethylsulfonylthiomorpholine

C9H18ClNO2S2 — CID 66378290

IUPAC4-(3-chloropropyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CCCCl
InChIInChI=1S/C9H18ClNO2S2/c1-2-15(12,13)9-8-14-7-6-11(9)5-3-4-10/h9H,2-8H2,1H3
InChIKeyWOSSEWINPUFEED-UHFFFAOYSA-N
MW271.83 g/mol
LogP1.42
Rot. Bonds5

About 4-(3-chloropropyl)-3-ethylsulfonylthiomorpholine

4-(3-chloropropyl)-3-ethylsulfonylthiomorpholine (PubChem CID 66378290) has the molecular formula C9H18ClNO2S2 and a molecular weight of 271.83 g/mol. Its IUPAC name is 4-(3-chloropropyl)-3-ethylsulfonylthiomorpholine.

Molecular Properties

Compound Name4-(3-chloropropyl)-3-ethylsulfonylthiomorpholine
PubChem CID66378290
Molecular FormulaC9H18ClNO2S2
Molecular Weight271.83 g/mol
Exact Mass271.05
IUPAC Name4-(3-chloropropyl)-3-ethylsulfonylthiomorpholine
SMILESCCS(=O)(=O)C1CSCCN1CCCCl
InChIInChI=1S/C9H18ClNO2S2/c1-2-15(12,13)9-8-14-7-6-11(9)5-3-4-10/h9H,2-8H2,1H3
InChIKeyWOSSEWINPUFEED-UHFFFAOYSA-N
XLogP1.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloropropyl)-3-ethylsulfonylthiomorpholine?
The IUPAC name of 4-(3-chloropropyl)-3-ethylsulfonylthiomorpholine (CID 66378290) is 4-(3-chloropropyl)-3-ethylsulfonylthiomorpholine.
What is the SMILES notation for 4-(3-chloropropyl)-3-ethylsulfonylthiomorpholine?
The canonical SMILES for 4-(3-chloropropyl)-3-ethylsulfonylthiomorpholine is CCS(=O)(=O)C1CSCCN1CCCCl.
What is the InChIKey of 4-(3-chloropropyl)-3-ethylsulfonylthiomorpholine?
The InChIKey is WOSSEWINPUFEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S2/c1-2-15(12,13)9-8-14-7-6-11(9)5-3-4-10/h9H,2-8H2,1H3.
What are the key properties of 4-(3-chloropropyl)-3-ethylsulfonylthiomorpholine?
4-(3-chloropropyl)-3-ethylsulfonylthiomorpholine has a molecular weight of 271.83 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)-3-ethylsulfonylthiomorpholine is sourced from PubChem (CID 66378290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).