2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol

C13H25NO4S — CID 115820304

IUPAC2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)C2CCCCO2)C1
InChIInChI=1S/C13H25NO4S/c1-19(16,17)14-7-4-5-11(10-14)9-12(15)13-6-2-3-8-18-13/h11-13,15H,2-10H2,1H3
InChIKeyDXFMVBUBVXOYHJ-UHFFFAOYSA-N
MW291.41 g/mol
LogP0.98
Rot. Bonds4

About 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol

2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol (PubChem CID 115820304) has the molecular formula C13H25NO4S and a molecular weight of 291.41 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol
PubChem CID115820304
Molecular FormulaC13H25NO4S
Molecular Weight291.41 g/mol
Exact Mass291.15
IUPAC Name2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)C2CCCCO2)C1
InChIInChI=1S/C13H25NO4S/c1-19(16,17)14-7-4-5-11(10-14)9-12(15)13-6-2-3-8-18-13/h11-13,15H,2-10H2,1H3
InChIKeyDXFMVBUBVXOYHJ-UHFFFAOYSA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol
CID 79612405
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 80685304
4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol
CID 79622724
2-cyclopentyl-1-(4-methylmorpholin-2-yl)ethanol
CID 79087571
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79611825
1-(1-methylsulfonylpiperidin-3-yl)decan-2-ol
CID 115820309
3-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
CID 79610034
1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609528
1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011185

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol?
The IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol (CID 115820304) is 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol is CS(=O)(=O)N1CCCC(CC(O)C2CCCCO2)C1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol?
The InChIKey is DXFMVBUBVXOYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4S/c1-19(16,17)14-7-4-5-11(10-14)9-12(15)13-6-2-3-8-18-13/h11-13,15H,2-10H2,1H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol?
2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol has a molecular weight of 291.41 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol is sourced from PubChem (CID 115820304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).