6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine

C11H22BrNO3S — CID 114781810

IUPAC6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine
SMILESCC(C)CS(=O)(=O)N1CC(CBr)OC(C)(C)C1
InChIInChI=1S/C11H22BrNO3S/c1-9(2)7-17(14,15)13-6-10(5-12)16-11(3,4)8-13/h9-10H,5-8H2,1-4H3
InChIKeyZCEFBSXPJYRLHJ-UHFFFAOYSA-N
MW328.27 g/mol
LogP1.85
Rot. Bonds4

About 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine

6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine (PubChem CID 114781810) has the molecular formula C11H22BrNO3S and a molecular weight of 328.27 g/mol. Its IUPAC name is 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine.

Molecular Properties

Compound Name6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine
PubChem CID114781810
Molecular FormulaC11H22BrNO3S
Molecular Weight328.27 g/mol
Exact Mass327.05
IUPAC Name6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine
SMILESCC(C)CS(=O)(=O)N1CC(CBr)OC(C)(C)C1
InChIInChI=1S/C11H22BrNO3S/c1-9(2)7-17(14,15)13-6-10(5-12)16-11(3,4)8-13/h9-10H,5-8H2,1-4H3
InChIKeyZCEFBSXPJYRLHJ-UHFFFAOYSA-N
XLogP1.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 51.85
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

6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine
CID 114781805
4-(azepan-1-ylsulfonyl)-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114781878
6-(bromomethyl)-2,2-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine
CID 114781881
6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine
CID 114781797
6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine
CID 114780738
6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine
CID 114781871
4-(4-bromo-2-fluorophenyl)sulfonyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114781861
6-(bromomethyl)-4-(3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781838
6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine
CID 114780737
6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine
CID 114781770
(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
CID 114779112
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]nonan-1-one
CID 114781544

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine?
The IUPAC name of 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine (CID 114781810) is 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine.
What is the SMILES notation for 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine?
The canonical SMILES for 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine is CC(C)CS(=O)(=O)N1CC(CBr)OC(C)(C)C1.
What is the InChIKey of 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine?
The InChIKey is ZCEFBSXPJYRLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO3S/c1-9(2)7-17(14,15)13-6-10(5-12)16-11(3,4)8-13/h9-10H,5-8H2,1-4H3.
What are the key properties of 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine?
6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine has a molecular weight of 328.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine is sourced from PubChem (CID 114781810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).