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

C14H27NO4S — CID 80685304

IUPAC1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCC1(C(O)CC2CCCN(S(C)(=O)=O)C2)CCCCO1
InChIInChI=1S/C14H27NO4S/c1-14(7-3-4-9-19-14)13(16)10-12-6-5-8-15(11-12)20(2,17)18/h12-13,16H,3-11H2,1-2H3
InChIKeySJEUJDVEJBMJCU-UHFFFAOYSA-N
MW305.44 g/mol
LogP1.37
Rot. Bonds4

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

1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (PubChem CID 80685304) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
PubChem CID80685304
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC Name1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCC1(C(O)CC2CCCN(S(C)(=O)=O)C2)CCCCO1
InChIInChI=1S/C14H27NO4S/c1-14(7-3-4-9-19-14)13(16)10-12-6-5-8-15(11-12)20(2,17)18/h12-13,16H,3-11H2,1-2H3
InChIKeySJEUJDVEJBMJCU-UHFFFAOYSA-N
XLogP1.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-(2-methyloxan-2-yl)ethanol
CID 80684699
1-(1-methylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011006
2-(1-methylsulfonylpiperidin-3-yl)-1-(oxan-2-yl)ethanol
CID 115820304
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79610971
2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol
CID 79612405
4-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]pentan-2-ol
CID 79622724
1-(1-hydroxycycloheptyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 103450370
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854
4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one
CID 79610502
ethyl 2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanoate
CID 79611825
3-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
CID 79610034

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The IUPAC name of 1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (CID 80685304) is 1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.
What is the SMILES notation for 1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The canonical SMILES for 1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is CC1(C(O)CC2CCCN(S(C)(=O)=O)C2)CCCCO1.
What is the InChIKey of 1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The InChIKey is SJEUJDVEJBMJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-14(7-3-4-9-19-14)13(16)10-12-6-5-8-15(11-12)20(2,17)18/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol has a molecular weight of 305.44 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is sourced from PubChem (CID 80685304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).