2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine

C11H15Br2NO3S2 — CID 102938093

IUPAC2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine
SMILESCc1cc(S(=O)(=O)N2CC(C)OC(CBr)C2)sc1Br
InChIInChI=1S/C11H15Br2NO3S2/c1-7-3-10(18-11(7)13)19(15,16)14-5-8(2)17-9(4-12)6-14/h3,8-9H,4-6H2,1-2H3
InChIKeyRWABRUPUXSVLHB-UHFFFAOYSA-N
MW433.19 g/mol
LogP2.99
Rot. Bonds3

About 2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine

2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine (PubChem CID 102938093) has the molecular formula C11H15Br2NO3S2 and a molecular weight of 433.19 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine
PubChem CID102938093
Molecular FormulaC11H15Br2NO3S2
Molecular Weight433.19 g/mol
Exact Mass430.89
IUPAC Name2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine
SMILESCc1cc(S(=O)(=O)N2CC(C)OC(CBr)C2)sc1Br
InChIInChI=1S/C11H15Br2NO3S2/c1-7-3-10(18-11(7)13)19(15,16)14-5-8(2)17-9(4-12)6-14/h3,8-9H,4-6H2,1-2H3
InChIKeyRWABRUPUXSVLHB-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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

1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine
CID 79987539
2-(bromomethyl)-6-methyl-4-(3-methylphenyl)sulfonylmorpholine
CID 102938149
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585555
4-(4-bromo-2-fluorophenyl)sulfonyl-2-(bromomethyl)-6-methylmorpholine
CID 102938147
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-3-methylthiophene-2-carboxylic acid
CID 104958042
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896891
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3-(chloromethyl)pyrrolidine
CID 79988757
4-bromo-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80672635
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3-ethylpiperidin-4-one
CID 114508506
2-(bromomethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-6-methylmorpholine
CID 102938133
2-(bromomethyl)-4-cyclopropylsulfonyl-6-methylmorpholine
CID 102938116
3-bromo-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80676134

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine (CID 102938093) is 2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine is Cc1cc(S(=O)(=O)N2CC(C)OC(CBr)C2)sc1Br.
What is the InChIKey of 2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine?
The InChIKey is RWABRUPUXSVLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO3S2/c1-7-3-10(18-11(7)13)19(15,16)14-5-8(2)17-9(4-12)6-14/h3,8-9H,4-6H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine?
2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine has a molecular weight of 433.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(5-bromo-4-methylthiophen-2-yl)sulfonyl-6-methylmorpholine is sourced from PubChem (CID 102938093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).