6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine

C11H15Br2NO3S2 — CID 114781871

IUPAC6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)c2ccc(Br)s2)CC(CBr)O1
InChIInChI=1S/C11H15Br2NO3S2/c1-11(2)7-14(6-8(5-12)17-11)19(15,16)10-4-3-9(13)18-10/h3-4,8H,5-7H2,1-2H3
InChIKeyUWBHMFAZHSUHLE-UHFFFAOYSA-N
MW433.19 g/mol
LogP3.07
Rot. Bonds3

About 6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine

6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine (PubChem CID 114781871) has the molecular formula C11H15Br2NO3S2 and a molecular weight of 433.19 g/mol. Its IUPAC name is 6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine
PubChem CID114781871
Molecular FormulaC11H15Br2NO3S2
Molecular Weight433.19 g/mol
Exact Mass430.89
IUPAC Name6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine
SMILESCC1(C)CN(S(=O)(=O)c2ccc(Br)s2)CC(CBr)O1
InChIInChI=1S/C11H15Br2NO3S2/c1-11(2)7-14(6-8(5-12)17-11)19(15,16)10-4-3-9(13)18-10/h3-4,8H,5-7H2,1-2H3
InChIKeyUWBHMFAZHSUHLE-UHFFFAOYSA-N
XLogP3.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.19
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol
CID 114779103
6-(bromomethyl)-4-(3-fluorophenyl)sulfonyl-2,2-dimethylmorpholine
CID 114781838
4-(bromomethyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine
CID 80669253
[4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779094
6-(bromomethyl)-2,2-dimethyl-4-piperidin-1-ylsulfonylmorpholine
CID 114781805
4-(azepan-1-ylsulfonyl)-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114781878
[4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114776164
6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine
CID 114781810
1-(5-bromothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120778998
1-(5-bromothiophen-2-yl)sulfonylazepane
CID 893724
1-(5-bromothiophen-2-yl)sulfonyl-4-ethylsulfonylpiperazine
CID 6470800
1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbaldehyde
CID 63844505

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine?
The IUPAC name of 6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine (CID 114781871) is 6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine?
The canonical SMILES for 6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine is CC1(C)CN(S(=O)(=O)c2ccc(Br)s2)CC(CBr)O1.
What is the InChIKey of 6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine?
The InChIKey is UWBHMFAZHSUHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO3S2/c1-11(2)7-14(6-8(5-12)17-11)19(15,16)10-4-3-9(13)18-10/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine?
6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine has a molecular weight of 433.19 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine is sourced from PubChem (CID 114781871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).