[4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol

C12H18BrNO4S2 — CID 114779094

IUPAC[4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
SMILESCc1sc(Br)cc1S(=O)(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C12H18BrNO4S2/c1-8-10(4-11(13)19-8)20(16,17)14-5-9(6-15)18-12(2,3)7-14/h4,9,15H,5-7H2,1-3H3
InChIKeyZZFARLOEJFUAHO-UHFFFAOYSA-N
MW384.32 g/mol
LogP1.98
Rot. Bonds3

About [4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol

[4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779094) has the molecular formula C12H18BrNO4S2 and a molecular weight of 384.32 g/mol. Its IUPAC name is [4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779094
Molecular FormulaC12H18BrNO4S2
Molecular Weight384.32 g/mol
Exact Mass382.99
IUPAC Name[4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
SMILESCc1sc(Br)cc1S(=O)(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C12H18BrNO4S2/c1-8-10(4-11(13)19-8)20(16,17)14-5-9(6-15)18-12(2,3)7-14/h4,9,15H,5-7H2,1-3H3
InChIKeyZZFARLOEJFUAHO-UHFFFAOYSA-N
XLogP1.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-chloro-2-methylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779155
[6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol
CID 114779103
[4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114776164
[4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779082
[6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol
CID 114779120
6-(bromomethyl)-4-(5-bromothiophen-2-yl)sulfonyl-2,2-dimethylmorpholine
CID 114781871
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779642
4-(4-bromo-2-fluorophenyl)sulfonyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114781861
[6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol
CID 114779174
5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 114776516
[4-(2,4-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782183
[4-(2,5-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782154

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol (CID 114779094) is [4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol is Cc1sc(Br)cc1S(=O)(=O)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of [4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is ZZFARLOEJFUAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO4S2/c1-8-10(4-11(13)19-8)20(16,17)14-5-9(6-15)18-12(2,3)7-14/h4,9,15H,5-7H2,1-3H3.
What are the key properties of [4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol?
[4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 384.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).