[6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol

C14H28N2O4S — CID 114777054

IUPAC[6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol
SMILESCC1(C)CN(S(=O)(=O)CCC2CCNCC2)CC(CO)O1
InChIInChI=1S/C14H28N2O4S/c1-14(2)11-16(9-13(10-17)20-14)21(18,19)8-5-12-3-6-15-7-4-12/h12-13,15,17H,3-11H2,1-2H3
InChIKeyMYLDLRNKYSCYOT-UHFFFAOYSA-N
MW320.46 g/mol
LogP0.18
Rot. Bonds5

About [6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol

[6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol (PubChem CID 114777054) has the molecular formula C14H28N2O4S and a molecular weight of 320.46 g/mol. Its IUPAC name is [6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol
PubChem CID114777054
Molecular FormulaC14H28N2O4S
Molecular Weight320.46 g/mol
Exact Mass320.18
IUPAC Name[6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol
SMILESCC1(C)CN(S(=O)(=O)CCC2CCNCC2)CC(CO)O1
InChIInChI=1S/C14H28N2O4S/c1-14(2)11-16(9-13(10-17)20-14)21(18,19)8-5-12-3-6-15-7-4-12/h12-13,15,17H,3-11H2,1-2H3
InChIKeyMYLDLRNKYSCYOT-UHFFFAOYSA-N
XLogP0.18
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
CID 114779112
[6,6-dimethyl-4-(piperidin-4-ylmethyl)morpholin-2-yl]methanol
CID 114782610
ethyl 3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylpropanoate
CID 114779075
methyl 2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]sulfonylacetate
CID 114779073
[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol
CID 112625660
(6,6-dimethyl-4-piperidin-4-ylmorpholin-2-yl)methanol
CID 114782622
6-(chloromethyl)-4-(cyclopropylmethylsulfonyl)-2,2-dimethylmorpholine
CID 114781770
6-(chloromethyl)-2,2-dimethyl-4-(3-methylbutylsulfonyl)morpholine
CID 114781797
[6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]morpholin-2-yl]methanol
CID 114779174
1-ethyl-4-(2-piperidin-4-ylethylsulfonyl)piperazine
CID 60891523
[6,6-dimethyl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]morpholin-2-yl]methanol
CID 114779947
4,4-dimethyl-1-(4-piperidin-4-ylbutylsulfonyl)piperidine
CID 70094794

Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol (CID 114777054) is [6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol is CC1(C)CN(S(=O)(=O)CCC2CCNCC2)CC(CO)O1.
What is the InChIKey of [6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol?
The InChIKey is MYLDLRNKYSCYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4S/c1-14(2)11-16(9-13(10-17)20-14)21(18,19)8-5-12-3-6-15-7-4-12/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of [6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol?
[6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol has a molecular weight of 320.46 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-(2-piperidin-4-ylethylsulfonyl)morpholin-2-yl]methanol is sourced from PubChem (CID 114777054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).