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

C14H27NO4S — CID 114779904

IUPAC[6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol
SMILESCC1(C)CN(C2CCCC(S(C)(=O)=O)C2)CC(CO)O1
InChIInChI=1S/C14H27NO4S/c1-14(2)10-15(8-12(9-16)19-14)11-5-4-6-13(7-11)20(3,17)18/h11-13,16H,4-10H2,1-3H3
InChIKeyGVVMBTMFDNJKFX-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.81
Rot. Bonds3

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

[6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol (PubChem CID 114779904) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is [6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol
PubChem CID114779904
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC Name[6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol
SMILESCC1(C)CN(C2CCCC(S(C)(=O)=O)C2)CC(CO)O1
InChIInChI=1S/C14H27NO4S/c1-14(2)10-15(8-12(9-16)19-14)11-5-4-6-13(7-11)20(3,17)18/h11-13,16H,4-10H2,1-3H3
InChIKeyGVVMBTMFDNJKFX-UHFFFAOYSA-N
XLogP0.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-ethylcyclohexyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779892
(6,6-dimethyl-4-piperidin-4-ylmorpholin-2-yl)methanol
CID 114782622
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]azepan-2-one
CID 114779780
[6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol
CID 114779947
6-(chloromethyl)-4-cyclohexyl-2,2-dimethylmorpholine
CID 114780530
[4-[(5,5-dimethyloxolan-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114780051
[6,6-dimethyl-4-(2,2,5,5-tetramethyloxolan-3-yl)morpholin-2-yl]methanol
CID 114779914
(3-aminocyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776790
3-ethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-ol
CID 114511142
[6,6-dimethyl-4-(piperidin-4-ylmethyl)morpholin-2-yl]methanol
CID 114782610
N,4-dimethyl-1-(3-methylsulfonylcyclohexyl)piperidin-4-amine
CID 115305383
[6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol
CID 114777054

Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol (CID 114779904) is [6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol is CC1(C)CN(C2CCCC(S(C)(=O)=O)C2)CC(CO)O1.
What is the InChIKey of [6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol?
The InChIKey is GVVMBTMFDNJKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-14(2)10-15(8-12(9-16)19-14)11-5-4-6-13(7-11)20(3,17)18/h11-13,16H,4-10H2,1-3H3.
What are the key properties of [6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol?
[6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol has a molecular weight of 305.44 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-(3-methylsulfonylcyclohexyl)morpholin-2-yl]methanol is sourced from PubChem (CID 114779904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).