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

C11H21NO3S — CID 79609281

IUPAC1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)C2CC2)C1
InChIInChI=1S/C11H21NO3S/c1-16(14,15)12-6-2-3-9(8-12)7-11(13)10-4-5-10/h9-11,13H,2-8H2,1H3
InChIKeyGIBVVWVTQOQRED-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.82
Rot. Bonds4

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

1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol (PubChem CID 79609281) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol
PubChem CID79609281
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)C2CC2)C1
InChIInChI=1S/C11H21NO3S/c1-16(14,15)12-6-2-3-9(8-12)7-11(13)10-4-5-10/h9-11,13H,2-8H2,1H3
InChIKeyGIBVVWVTQOQRED-UHFFFAOYSA-N
XLogP0.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methyl-1-methylsulfonylpiperidin-2-yl)ethanol
CID 132307824
4,4,4-Trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-ol
CID 79609549
1,1,1-Trifluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 79612134
5,5,5-Trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 79952729
(2R)-1,1,1-trifluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 104374026
1-(4,4-Difluorocyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 105113365
1,1-Difluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 112575663
(2S)-1,1,1-trifluoro-3-(1-methylsulfonylpiperidin-3-yl)propan-2-ol
CID 113404890
3-(1-Methylsulfonylpiperidin-4-yl)propan-1-ol
CID 68749210
1-(1-Methylsulfonylpiperidin-4-yl)ethanol
CID 84067587
7-Methylsulfonyl-2-propan-2-yl-7-azaspiro[3.5]nonan-3-ol
CID 137386976
2-(1-Methylsulfonylpiperidin-3-yl)ethanol
CID 62358295

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The IUPAC name of 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol (CID 79609281) is 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol is CS(=O)(=O)N1CCCC(CC(O)C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The InChIKey is GIBVVWVTQOQRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-16(14,15)12-6-2-3-9(8-12)7-11(13)10-4-5-10/h9-11,13H,2-8H2,1H3.
What are the key properties of 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol has a molecular weight of 247.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanol is sourced from PubChem (CID 79609281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).