[4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol

C12H21N3O4S — CID 166376389

IUPAC[4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol
SMILESCc1ncc(S(=O)(=O)N2CC(C)(C)OCC2CO)n1C
InChIInChI=1S/C12H21N3O4S/c1-9-13-5-11(14(9)4)20(17,18)15-8-12(2,3)19-7-10(15)6-16/h5,10,16H,6-8H2,1-4H3
InChIKeyOOOJRYXZPLCQOM-UHFFFAOYSA-N
MW303.38 g/mol
LogP-0.11
Rot. Bonds3

About [4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol

[4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol (PubChem CID 166376389) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is [4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol
PubChem CID166376389
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC Name[4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol
SMILESCc1ncc(S(=O)(=O)N2CC(C)(C)OCC2CO)n1C
InChIInChI=1S/C12H21N3O4S/c1-9-13-5-11(14(9)4)20(17,18)15-8-12(2,3)19-7-10(15)6-16/h5,10,16H,6-8H2,1-4H3
InChIKeyOOOJRYXZPLCQOM-UHFFFAOYSA-N
XLogP-0.11
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol?
The IUPAC name of [4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol (CID 166376389) is [4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol.
What is the SMILES notation for [4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol?
The canonical SMILES for [4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol is Cc1ncc(S(=O)(=O)N2CC(C)(C)OCC2CO)n1C.
What is the InChIKey of [4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol?
The InChIKey is OOOJRYXZPLCQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-9-13-5-11(14(9)4)20(17,18)15-8-12(2,3)19-7-10(15)6-16/h5,10,16H,6-8H2,1-4H3.
What are the key properties of [4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol?
[4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol has a molecular weight of 303.38 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylimidazol-4-yl)sulfonyl-6,6-dimethylmorpholin-3-yl]methanol is sourced from PubChem (CID 166376389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).