2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine

C11H22BrNO3S — CID 103521773

IUPAC2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine
SMILESCC(C)(C)CCS(=O)(=O)N1CCOC(CBr)C1
InChIInChI=1S/C11H22BrNO3S/c1-11(2,3)4-7-17(14,15)13-5-6-16-10(8-12)9-13/h10H,4-9H2,1-3H3
InChIKeyQDQLDJMMIUTNKU-UHFFFAOYSA-N
MW328.27 g/mol
LogP1.85
Rot. Bonds4

About 2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine

2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine (PubChem CID 103521773) has the molecular formula C11H22BrNO3S and a molecular weight of 328.27 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine
PubChem CID103521773
Molecular FormulaC11H22BrNO3S
Molecular Weight328.27 g/mol
Exact Mass327.05
IUPAC Name2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine
SMILESCC(C)(C)CCS(=O)(=O)N1CCOC(CBr)C1
InChIInChI=1S/C11H22BrNO3S/c1-11(2,3)4-7-17(14,15)13-5-6-16-10(8-12)9-13/h10H,4-9H2,1-3H3
InChIKeyQDQLDJMMIUTNKU-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

2-(bromomethyl)-4-butylsulfonylmorpholine
CID 81212170
2-(bromomethyl)-4-tert-butylsulfonylmorpholine
CID 81212089
2-(bromomethyl)-4-(2-phenylethylsulfonyl)morpholine
CID 81211671
methyl 4-(3,3-dimethylbutylsulfonyl)morpholine-2-carboxylate
CID 113235493
2-(bromomethyl)-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 81211924
2-ethyl-4-ethylsulfonylmorpholine
CID 61356514
3-chloro-1-(3,3-dimethylbutylsulfonyl)-4-methylpiperidine
CID 103521877
(3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine
CID 102977594
2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81212406
2-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]acetic acid
CID 83067807
N-[2-(2-ethylmorpholin-4-yl)sulfonylethyl]propan-2-amine
CID 54972030
1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one
CID 81211878

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine?
The IUPAC name of 2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine (CID 103521773) is 2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine?
The canonical SMILES for 2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine is CC(C)(C)CCS(=O)(=O)N1CCOC(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine?
The InChIKey is QDQLDJMMIUTNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO3S/c1-11(2,3)4-7-17(14,15)13-5-6-16-10(8-12)9-13/h10H,4-9H2,1-3H3.
What are the key properties of 2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine?
2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)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 2-(bromomethyl)-4-(3,3-dimethylbutylsulfonyl)morpholine is sourced from PubChem (CID 103521773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).