2-(bromomethyl)-4-butylsulfonylmorpholine

C9H18BrNO3S — CID 81212170

IUPAC2-(bromomethyl)-4-butylsulfonylmorpholine
SMILESCCCCS(=O)(=O)N1CCOC(CBr)C1
InChIInChI=1S/C9H18BrNO3S/c1-2-3-6-15(12,13)11-4-5-14-9(7-10)8-11/h9H,2-8H2,1H3
InChIKeyUTHCFVFMFPZOKH-UHFFFAOYSA-N
MW300.22 g/mol
LogP1.21
Rot. Bonds5

About 2-(bromomethyl)-4-butylsulfonylmorpholine

2-(bromomethyl)-4-butylsulfonylmorpholine (PubChem CID 81212170) has the molecular formula C9H18BrNO3S and a molecular weight of 300.22 g/mol. Its IUPAC name is 2-(bromomethyl)-4-butylsulfonylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-butylsulfonylmorpholine
PubChem CID81212170
Molecular FormulaC9H18BrNO3S
Molecular Weight300.22 g/mol
Exact Mass299.02
IUPAC Name2-(bromomethyl)-4-butylsulfonylmorpholine
SMILESCCCCS(=O)(=O)N1CCOC(CBr)C1
InChIInChI=1S/C9H18BrNO3S/c1-2-3-6-15(12,13)11-4-5-14-9(7-10)8-11/h9H,2-8H2,1H3
InChIKeyUTHCFVFMFPZOKH-UHFFFAOYSA-N
XLogP1.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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-(2-phenylethylsulfonyl)morpholine
CID 81211671
2-ethyl-4-ethylsulfonylmorpholine
CID 61356514
2-(bromomethyl)-4-tert-butylsulfonylmorpholine
CID 81212089
methyl 4-butylsulfonylmorpholine-2-carboxylate
CID 78927085
2-(bromomethyl)-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 81211924
4-butylsulfonyl-2-(2-fluorophenyl)morpholine
CID 110326692
N-[2-(2-ethylmorpholin-4-yl)sulfonylethyl]propan-2-amine
CID 54972030
1-butylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971586
N-[(4-methylmorpholin-2-yl)methyl]butane-1-sulfonamide
CID 110710241
2-[4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]acetic acid
CID 83067807
(4aS,8aR)-6-pentylsulfonyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 124734107

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-butylsulfonylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-butylsulfonylmorpholine (CID 81212170) is 2-(bromomethyl)-4-butylsulfonylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-butylsulfonylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-butylsulfonylmorpholine is CCCCS(=O)(=O)N1CCOC(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-4-butylsulfonylmorpholine?
The InChIKey is UTHCFVFMFPZOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO3S/c1-2-3-6-15(12,13)11-4-5-14-9(7-10)8-11/h9H,2-8H2,1H3.
What are the key properties of 2-(bromomethyl)-4-butylsulfonylmorpholine?
2-(bromomethyl)-4-butylsulfonylmorpholine has a molecular weight of 300.22 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-butylsulfonylmorpholine is sourced from PubChem (CID 81212170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).