2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine

C7H12Br3NO3S — CID 21445275

IUPAC2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)C(Br)(Br)Br)CC(C)O1
InChIInChI=1S/C7H12Br3NO3S/c1-5-3-11(4-6(2)14-5)15(12,13)7(8,9)10/h5-6H,3-4H2,1-2H3
InChIKeyLZTOXPUHQHWYJD-UHFFFAOYSA-N
MW429.96 g/mol
LogP2.22
Rot. Bonds1

About 2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine

2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine (PubChem CID 21445275) has the molecular formula C7H12Br3NO3S and a molecular weight of 429.96 g/mol. Its IUPAC name is 2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine
PubChem CID21445275
Molecular FormulaC7H12Br3NO3S
Molecular Weight429.96 g/mol
Exact Mass426.81
IUPAC Name2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine
SMILESCC1CN(S(=O)(=O)C(Br)(Br)Br)CC(C)O1
InChIInChI=1S/C7H12Br3NO3S/c1-5-3-11(4-6(2)14-5)15(12,13)7(8,9)10/h5-6H,3-4H2,1-2H3
InChIKeyLZTOXPUHQHWYJD-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.96
LogP ≤ 52.22
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

(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79410684
N,2,6-trimethylmorpholine-4-sulfonamide
CID 43242358
(2S,6R)-N,N,2,6-tetramethylmorpholine-4-sulfonamide
CID 884474
(2R,6S)-2,6-dimethyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 165470689
4-[4-(bromomethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 65482577
(2S,6R)-4-[5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylnaphthalen-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 27151755
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068
4-(2,5-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 45153824
5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-1H-pyrimidine-2,4-dione
CID 7253846
4-(2,4-dibromophenyl)sulfonyl-2,6-dimethylmorpholine
CID 47257434
(2S,6R)-4-(2,5-dibromo-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 103931355
(2S,6R)-4-(3-bromothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
CID 103931361

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine (CID 21445275) is 2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine is CC1CN(S(=O)(=O)C(Br)(Br)Br)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine?
The InChIKey is LZTOXPUHQHWYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Br3NO3S/c1-5-3-11(4-6(2)14-5)15(12,13)7(8,9)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine?
2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine has a molecular weight of 429.96 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(tribromomethylsulfonyl)morpholine is sourced from PubChem (CID 21445275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).