6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine

C12H23BrN2O3S — CID 114781805

IUPAC6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine
SMILESCC1(C)CN(S(=O)(=O)N2CCCCC2)CC(CBr)O1
InChIInChI=1S/C12H23BrN2O3S/c1-12(2)10-15(9-11(8-13)18-12)19(16,17)14-6-4-3-5-7-14/h11H,3-10H2,1-2H3
InChIKeyJZJZLBZHSGBRQK-UHFFFAOYSA-N
MW355.30 g/mol
LogP1.59
Rot. Bonds3

About 6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine

6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine (PubChem CID 114781805) has the molecular formula C12H23BrN2O3S and a molecular weight of 355.30 g/mol. Its IUPAC name is 6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine
PubChem CID114781805
Molecular FormulaC12H23BrN2O3S
Molecular Weight355.30 g/mol
Exact Mass354.06
IUPAC Name6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine
SMILESCC1(C)CN(S(=O)(=O)N2CCCCC2)CC(CBr)O1
InChIInChI=1S/C12H23BrN2O3S/c1-12(2)10-15(9-11(8-13)18-12)19(16,17)14-6-4-3-5-7-14/h11H,3-10H2,1-2H3
InChIKeyJZJZLBZHSGBRQK-UHFFFAOYSA-N
XLogP1.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 51.59
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-(azepan-1-ylsulfonyl)-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114781878
6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine
CID 114781810
6-(bromomethyl)-2,2-dimethyl-4-(oxolan-2-ylmethylsulfonyl)morpholine
CID 114781881
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
(4-cyclohexylsulfonyl-6,6-dimethylmorpholin-2-yl)methanamine
CID 114782156
4-tert-butylsulfonyl-6-(chloromethyl)-2,2-dimethylmorpholine
CID 114781769
6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine
CID 114780738
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,2,6-trimethylmorpholine
CID 71885008
6-(chloromethyl)-4-(2-chlorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781760
6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine
CID 114781770

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine?
The IUPAC name of 6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine (CID 114781805) is 6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine?
The canonical SMILES for 6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine is CC1(C)CN(S(=O)(=O)N2CCCCC2)CC(CBr)O1.
What is the InChIKey of 6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine?
The InChIKey is JZJZLBZHSGBRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN2O3S/c1-12(2)10-15(9-11(8-13)18-12)19(16,17)14-6-4-3-5-7-14/h11H,3-10H2,1-2H3.
What are the key properties of 6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine?
6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine has a molecular weight of 355.30 g/mol, XLogP of 1.59, 3 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-piperidin-1-ylsulfonylmorpholine is sourced from PubChem (CID 114781805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).