4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine

C8H15BrN2O3S — CID 130531605

IUPAC4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CC(CBr)C1
InChIInChI=1S/C8H15BrN2O3S/c9-5-8-6-11(7-8)15(12,13)10-1-3-14-4-2-10/h8H,1-7H2
InChIKeyYTWQDSUZDCNWTE-UHFFFAOYSA-N
MW299.19 g/mol
LogP-0.11
Rot. Bonds3

About 4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine

4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine (PubChem CID 130531605) has the molecular formula C8H15BrN2O3S and a molecular weight of 299.19 g/mol. Its IUPAC name is 4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine
PubChem CID130531605
Molecular FormulaC8H15BrN2O3S
Molecular Weight299.19 g/mol
Exact Mass298.00
IUPAC Name4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CC(CBr)C1
InChIInChI=1S/C8H15BrN2O3S/c9-5-8-6-11(7-8)15(12,13)10-1-3-14-4-2-10/h8H,1-7H2
InChIKeyYTWQDSUZDCNWTE-UHFFFAOYSA-N
XLogP-0.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 5-0.11
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-(1-morpholin-4-ylsulfonylpiperidin-3-yl)ethanamine
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4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
CID 1258870
4-(azepan-1-ylsulfonyl)morpholine
CID 60708060
(2R)-2-ethyl-4-morpholin-4-ylsulfonylmorpholine
CID 95288562
N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 63880145
[(3S,5R)-5-(morpholin-4-ylmethyl)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]methanol
CID 72940984
4-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]sulfonyl]morpholine
CID 102681232
(3R,4R)-1-morpholin-4-ylsulfonyl-4-pyrrolidin-1-ylpyrrolidin-3-ol
CID 110131898
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310
4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine
CID 94018194
4-[(3R)-3-(trifluoromethyl)piperidin-1-yl]sulfonylmorpholine
CID 94018195
(3R,4R)-4-morpholin-4-yl-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-ol
CID 110108224

Frequently Asked Questions

What is the IUPAC name of 4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine (CID 130531605) is 4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CC(CBr)C1.
What is the InChIKey of 4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine?
The InChIKey is YTWQDSUZDCNWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN2O3S/c9-5-8-6-11(7-8)15(12,13)10-1-3-14-4-2-10/h8H,1-7H2.
What are the key properties of 4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine?
4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine has a molecular weight of 299.19 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(bromomethyl)azetidin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 130531605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).