4-(3-chloropropylsulfonyl)-2,6-dimethylmorpholine

C9H18ClNO3S — CID 43653941

IUPAC4-(3-chloropropylsulfonyl)-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)CCCCl)CC(C)O1
InChIInChI=1S/C9H18ClNO3S/c1-8-6-11(7-9(2)14-8)15(12,13)5-3-4-10/h8-9H,3-7H2,1-2H3
InChIKeyTZJKBCVVHXQVOA-UHFFFAOYSA-N
MW255.77 g/mol
LogP1.05
Rot. Bonds4

About 4-(3-chloropropylsulfonyl)-2,6-dimethylmorpholine

4-(3-chloropropylsulfonyl)-2,6-dimethylmorpholine (PubChem CID 43653941) has the molecular formula C9H18ClNO3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 4-(3-chloropropylsulfonyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(3-chloropropylsulfonyl)-2,6-dimethylmorpholine
PubChem CID43653941
Molecular FormulaC9H18ClNO3S
Molecular Weight255.77 g/mol
Exact Mass255.07
IUPAC Name4-(3-chloropropylsulfonyl)-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)CCCCl)CC(C)O1
InChIInChI=1S/C9H18ClNO3S/c1-8-6-11(7-9(2)14-8)15(12,13)5-3-4-10/h8-9H,3-7H2,1-2H3
InChIKeyTZJKBCVVHXQVOA-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
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)-2,6-dimethylmorpholine?
The IUPAC name of 4-(3-chloropropylsulfonyl)-2,6-dimethylmorpholine (CID 43653941) is 4-(3-chloropropylsulfonyl)-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(3-chloropropylsulfonyl)-2,6-dimethylmorpholine?
The canonical SMILES for 4-(3-chloropropylsulfonyl)-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)CCCCl)CC(C)O1.
What is the InChIKey of 4-(3-chloropropylsulfonyl)-2,6-dimethylmorpholine?
The InChIKey is TZJKBCVVHXQVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO3S/c1-8-6-11(7-9(2)14-8)15(12,13)5-3-4-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(3-chloropropylsulfonyl)-2,6-dimethylmorpholine?
4-(3-chloropropylsulfonyl)-2,6-dimethylmorpholine has a molecular weight of 255.77 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropylsulfonyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 43653941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).