[6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol

C13H20N2O4S — CID 114779341

IUPAC[6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol
SMILESCC1(C)CN(c2ncccc2S(C)(=O)=O)CC(CO)O1
InChIInChI=1S/C13H20N2O4S/c1-13(2)9-15(7-10(8-16)19-13)12-11(20(3,17)18)5-4-6-14-12/h4-6,10,16H,7-9H2,1-3H3
InChIKeyCFYNYBBQRGGZCD-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.46
Rot. Bonds3

About [6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol

[6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol (PubChem CID 114779341) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is [6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol
PubChem CID114779341
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name[6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol
SMILESCC1(C)CN(c2ncccc2S(C)(=O)=O)CC(CO)O1
InChIInChI=1S/C13H20N2O4S/c1-13(2)9-15(7-10(8-16)19-13)12-11(20(3,17)18)5-4-6-14-12/h4-6,10,16H,7-9H2,1-3H3
InChIKeyCFYNYBBQRGGZCD-UHFFFAOYSA-N
XLogP0.46
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 114777180
6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine
CID 114780916
3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid
CID 105382742
3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile
CID 114776876
3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbothioamide
CID 114776973
2-(bromomethyl)-4-(3-methylsulfonyl-2-pyridinyl)morpholine
CID 114599993
[6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol
CID 114779409
[4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114777898
4-chloro-6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 114777268
[4-[(3-hydrazinyl-2-pyridinyl)sulfonyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 103302124
[4-(6-amino-5-propan-2-ylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114782706
1-(3-methylsulfonyl-2-pyridinyl)azepane
CID 133498194

Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol (CID 114779341) is [6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol is CC1(C)CN(c2ncccc2S(C)(=O)=O)CC(CO)O1.
What is the InChIKey of [6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol?
The InChIKey is CFYNYBBQRGGZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-13(2)9-15(7-10(8-16)19-13)12-11(20(3,17)18)5-4-6-14-12/h4-6,10,16H,7-9H2,1-3H3.
What are the key properties of [6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol?
[6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol has a molecular weight of 300.38 g/mol, XLogP of 0.46, 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-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol is sourced from PubChem (CID 114779341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).