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

C12H23NO4S — CID 79612405

IUPAC2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)C2CCOC2)C1
InChIInChI=1S/C12H23NO4S/c1-18(15,16)13-5-2-3-10(8-13)7-12(14)11-4-6-17-9-11/h10-12,14H,2-9H2,1H3
InChIKeyPHMDXGXZDNPQMZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.45
Rot. Bonds4

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

2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol (PubChem CID 79612405) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol
PubChem CID79612405
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Name2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)C2CCOC2)C1
InChIInChI=1S/C12H23NO4S/c1-18(15,16)13-5-2-3-10(8-13)7-12(14)11-4-6-17-9-11/h10-12,14H,2-9H2,1H3
InChIKeyPHMDXGXZDNPQMZ-UHFFFAOYSA-N
XLogP0.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229386
2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol
CID 115820304
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
1-(3,5-dimethylcyclohex-3-en-1-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 103277705
4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol
CID 79622724
1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 80685304
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol (CID 79612405) is 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol is CS(=O)(=O)N1CCCC(CC(O)C2CCOC2)C1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol?
The InChIKey is PHMDXGXZDNPQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-18(15,16)13-5-2-3-10(8-13)7-12(14)11-4-6-17-9-11/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol?
2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol has a molecular weight of 277.39 g/mol, XLogP of 0.45, 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-(oxolan-3-yl)ethanol is sourced from PubChem (CID 79612405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).