[6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol

C11H19N3O4S — CID 114779120

IUPAC[6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol
SMILESCn1nccc1S(=O)(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C11H19N3O4S/c1-11(2)8-14(6-9(7-15)18-11)19(16,17)10-4-5-12-13(10)3/h4-5,9,15H,6-8H2,1-3H3
InChIKeyGLUXZLJDPJCCIY-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.42
Rot. Bonds3

About [6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol

[6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol (PubChem CID 114779120) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is [6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol
PubChem CID114779120
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name[6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol
SMILESCn1nccc1S(=O)(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C11H19N3O4S/c1-11(2)8-14(6-9(7-15)18-11)19(16,17)10-4-5-12-13(10)3/h4-5,9,15H,6-8H2,1-3H3
InChIKeyGLUXZLJDPJCCIY-UHFFFAOYSA-N
XLogP-0.42
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6,6-dimethyl-4-(5-methylthiophen-2-yl)sulfonylmorpholin-2-yl]methanol
CID 114779103
[4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 103302124
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 114779021
[4-(5-chloro-2-methylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779155
5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylfuran-2-carboxylic acid
CID 114776516
[4-(2-methoxyphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779082
[4-(4-aminothiophen-2-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114776164
[4-(5-bromo-2-methylthiophen-3-yl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanol
CID 114779094
(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
CID 114779112
[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]methyl]-1-methylpyrazole-4-carboxylic acid
CID 114777296
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate
CID 114779073

Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol (CID 114779120) is [6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol is Cn1nccc1S(=O)(=O)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of [6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol?
The InChIKey is GLUXZLJDPJCCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-11(2)8-14(6-9(7-15)18-11)19(16,17)10-4-5-12-13(10)3/h4-5,9,15H,6-8H2,1-3H3.
What are the key properties of [6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol?
[6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol has a molecular weight of 289.36 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-(2-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).