2-(bromomethyl)-4-tert-butylsulfonylmorpholine

C9H18BrNO3S — CID 81212089

IUPAC2-(bromomethyl)-4-tert-butylsulfonylmorpholine
SMILESCC(C)(C)S(=O)(=O)N1CCOC(CBr)C1
InChIInChI=1S/C9H18BrNO3S/c1-9(2,3)15(12,13)11-4-5-14-8(6-10)7-11/h8H,4-7H2,1-3H3
InChIKeyHWQJBIZAIHKRDO-UHFFFAOYSA-N
MW300.22 g/mol
LogP1.21
Rot. Bonds2

About 2-(bromomethyl)-4-tert-butylsulfonylmorpholine

2-(bromomethyl)-4-tert-butylsulfonylmorpholine (PubChem CID 81212089) has the molecular formula C9H18BrNO3S and a molecular weight of 300.22 g/mol. Its IUPAC name is 2-(bromomethyl)-4-tert-butylsulfonylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-tert-butylsulfonylmorpholine
PubChem CID81212089
Molecular FormulaC9H18BrNO3S
Molecular Weight300.22 g/mol
Exact Mass299.02
IUPAC Name2-(bromomethyl)-4-tert-butylsulfonylmorpholine
SMILESCC(C)(C)S(=O)(=O)N1CCOC(CBr)C1
InChIInChI=1S/C9H18BrNO3S/c1-9(2,3)15(12,13)11-4-5-14-8(6-10)7-11/h8H,4-7H2,1-3H3
InChIKeyHWQJBIZAIHKRDO-UHFFFAOYSA-N
XLogP1.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 51.21
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

2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine
CID 103521773
2-(bromomethyl)-4-butylsulfonylmorpholine
CID 81212170
2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81212406
1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one
CID 81211878
2-ethyl-4-ethylsulfonylmorpholine
CID 61356514
2-(bromomethyl)-4-(2-phenylethylsulfonyl)morpholine
CID 81211671
2-(bromomethyl)-4-(1H-pyrazol-5-ylsulfonyl)morpholine
CID 102694002
2-(bromomethyl)-4-(1H-imidazol-5-ylsulfonyl)morpholine
CID 81211257
2-(bromomethyl)-4-(3,4-dichlorophenyl)sulfonylmorpholine
CID 81212002
2-(bromomethyl)-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholine
CID 81212973
2-(bromomethyl)-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 81211924
2-(bromomethyl)-4-pentan-3-ylmorpholine
CID 81213271

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-tert-butylsulfonylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-tert-butylsulfonylmorpholine (CID 81212089) is 2-(bromomethyl)-4-tert-butylsulfonylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-tert-butylsulfonylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-tert-butylsulfonylmorpholine is CC(C)(C)S(=O)(=O)N1CCOC(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-4-tert-butylsulfonylmorpholine?
The InChIKey is HWQJBIZAIHKRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO3S/c1-9(2,3)15(12,13)11-4-5-14-8(6-10)7-11/h8H,4-7H2,1-3H3.
What are the key properties of 2-(bromomethyl)-4-tert-butylsulfonylmorpholine?
2-(bromomethyl)-4-tert-butylsulfonylmorpholine has a molecular weight of 300.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-tert-butylsulfonylmorpholine is sourced from PubChem (CID 81212089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).