4-(3-chloropropylsulfonyl)-5-ethyl-2-methylmorpholine

C10H20ClNO3S — CID 43653869

IUPAC4-(3-chloropropylsulfonyl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1S(=O)(=O)CCCCl
InChIInChI=1S/C10H20ClNO3S/c1-3-10-8-15-9(2)7-12(10)16(13,14)6-4-5-11/h9-10H,3-8H2,1-2H3
InChIKeyHJRVWRPMVCYFRB-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.44
Rot. Bonds5

About 4-(3-chloropropylsulfonyl)-5-ethyl-2-methylmorpholine

4-(3-chloropropylsulfonyl)-5-ethyl-2-methylmorpholine (PubChem CID 43653869) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 4-(3-chloropropylsulfonyl)-5-ethyl-2-methylmorpholine.

Molecular Properties

Compound Name4-(3-chloropropylsulfonyl)-5-ethyl-2-methylmorpholine
PubChem CID43653869
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name4-(3-chloropropylsulfonyl)-5-ethyl-2-methylmorpholine
SMILESCCC1COC(C)CN1S(=O)(=O)CCCCl
InChIInChI=1S/C10H20ClNO3S/c1-3-10-8-15-9(2)7-12(10)16(13,14)6-4-5-11/h9-10H,3-8H2,1-2H3
InChIKeyHJRVWRPMVCYFRB-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.44
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)-5-ethyl-2-methylmorpholine?
The IUPAC name of 4-(3-chloropropylsulfonyl)-5-ethyl-2-methylmorpholine (CID 43653869) is 4-(3-chloropropylsulfonyl)-5-ethyl-2-methylmorpholine.
What is the SMILES notation for 4-(3-chloropropylsulfonyl)-5-ethyl-2-methylmorpholine?
The canonical SMILES for 4-(3-chloropropylsulfonyl)-5-ethyl-2-methylmorpholine is CCC1COC(C)CN1S(=O)(=O)CCCCl.
What is the InChIKey of 4-(3-chloropropylsulfonyl)-5-ethyl-2-methylmorpholine?
The InChIKey is HJRVWRPMVCYFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-3-10-8-15-9(2)7-12(10)16(13,14)6-4-5-11/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-(3-chloropropylsulfonyl)-5-ethyl-2-methylmorpholine?
4-(3-chloropropylsulfonyl)-5-ethyl-2-methylmorpholine has a molecular weight of 269.79 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropylsulfonyl)-5-ethyl-2-methylmorpholine is sourced from PubChem (CID 43653869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).