4-(3-chloropropylsulfonyl)-3-methylmorpholine

C8H16ClNO3S — CID 43654397

IUPAC4-(3-chloropropylsulfonyl)-3-methylmorpholine
SMILESCC1COCCN1S(=O)(=O)CCCCl
InChIInChI=1S/C8H16ClNO3S/c1-8-7-13-5-4-10(8)14(11,12)6-2-3-9/h8H,2-7H2,1H3
InChIKeyCJIJDVJAAAAPPQ-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.67
Rot. Bonds4

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

4-(3-chloropropylsulfonyl)-3-methylmorpholine (PubChem CID 43654397) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 4-(3-chloropropylsulfonyl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(3-chloropropylsulfonyl)-3-methylmorpholine
PubChem CID43654397
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name4-(3-chloropropylsulfonyl)-3-methylmorpholine
SMILESCC1COCCN1S(=O)(=O)CCCCl
InChIInChI=1S/C8H16ClNO3S/c1-8-7-13-5-4-10(8)14(11,12)6-2-3-9/h8H,2-7H2,1H3
InChIKeyCJIJDVJAAAAPPQ-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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Related Compounds

4-[(3-Chloropropyl)sulfonyl]morpholine
CID 284407
2-(Chloromethyl)-5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholine
CID 83060010
3-(Chloromethyl)-4-(4,4,4-trifluorobutylsulfonyl)morpholine
CID 113521208
N-(1-chloro-3-sulfamoylpropyl)-N-methylmorpholine-4-sulfonamide
CID 67036711
N-butyl-3-chloro-N-(2-methoxyethyl)propane-1-sulfonamide
CID 89281474
4-(3-Chloropropylsulfinyl)morpholine
CID 143835410
4-(3-Chloro-2,2-dimethylpropyl)sulfonylmorpholine
CID 229598
4-[(1S)-1-chlorobutyl]sulfonylmorpholine
CID 820152
4-[(1R)-1-chlorobutyl]sulfonylmorpholine
CID 820154
Morpholine, 4-[(1-chlorobutyl)sulfonyl]-
CID 4428865
4-(1-Chloropentane-1-sulfonyl)morpholine
CID 13256996
4-[(1-Chloropropyl)sulfonyl]morpholine
CID 24975915

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropylsulfonyl)-3-methylmorpholine?
The IUPAC name of 4-(3-chloropropylsulfonyl)-3-methylmorpholine (CID 43654397) is 4-(3-chloropropylsulfonyl)-3-methylmorpholine.
What is the SMILES notation for 4-(3-chloropropylsulfonyl)-3-methylmorpholine?
The canonical SMILES for 4-(3-chloropropylsulfonyl)-3-methylmorpholine is CC1COCCN1S(=O)(=O)CCCCl.
What is the InChIKey of 4-(3-chloropropylsulfonyl)-3-methylmorpholine?
The InChIKey is CJIJDVJAAAAPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-8-7-13-5-4-10(8)14(11,12)6-2-3-9/h8H,2-7H2,1H3.
What are the key properties of 4-(3-chloropropylsulfonyl)-3-methylmorpholine?
4-(3-chloropropylsulfonyl)-3-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)-3-methylmorpholine is sourced from PubChem (CID 43654397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).