[1-(2-methylsulfonylethyl)piperidin-2-yl]methanol

C9H19NO3S — CID 60967180

IUPAC[1-(2-methylsulfonylethyl)piperidin-2-yl]methanol
SMILESCS(=O)(=O)CCN1CCCCC1CO
InChIInChI=1S/C9H19NO3S/c1-14(12,13)7-6-10-5-3-2-4-9(10)8-11/h9,11H,2-8H2,1H3
InChIKeyFSVCPRHUBMNPNW-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.12
Rot. Bonds4

About [1-(2-methylsulfonylethyl)piperidin-2-yl]methanol

[1-(2-methylsulfonylethyl)piperidin-2-yl]methanol (PubChem CID 60967180) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is [1-(2-methylsulfonylethyl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-methylsulfonylethyl)piperidin-2-yl]methanol
PubChem CID60967180
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name[1-(2-methylsulfonylethyl)piperidin-2-yl]methanol
SMILESCS(=O)(=O)CCN1CCCCC1CO
InChIInChI=1S/C9H19NO3S/c1-14(12,13)7-6-10-5-3-2-4-9(10)8-11/h9,11H,2-8H2,1H3
InChIKeyFSVCPRHUBMNPNW-UHFFFAOYSA-N
XLogP-0.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-Propan-2-ylsulfonylethyl)piperidin-2-yl]propan-1-ol
CID 71861857
(2R,3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol
CID 154680480
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol
CID 155059538
(3S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluorobutan-1-ol
CID 167099795
(6-Methyl-1-methylsulfonylpiperidin-2-yl)methanol
CID 130667035
[(2S,6S)-6-methyl-1-methylsulfonylpiperidin-2-yl]methanol
CID 172407411
[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-2-yl]methanol
CID 83059710
1-[1-(3-Fluoropropylsulfonyl)piperidin-2-yl]ethanol
CID 109866065
(1-Ethylsulfonylpiperidin-2-yl)methanol
CID 43574451
3-[2-(2-Methylsulfonylethyl)piperidin-1-yl]propan-1-ol
CID 53810602
3-[1-(2-Methylsulfonylethyl)piperidin-4-yl]propan-1-ol
CID 54242414
2-[2-(2-Methylsulfonylethyl)piperidin-1-yl]ethanol
CID 57251381

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylsulfonylethyl)piperidin-2-yl]methanol?
The IUPAC name of [1-(2-methylsulfonylethyl)piperidin-2-yl]methanol (CID 60967180) is [1-(2-methylsulfonylethyl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(2-methylsulfonylethyl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(2-methylsulfonylethyl)piperidin-2-yl]methanol is CS(=O)(=O)CCN1CCCCC1CO.
What is the InChIKey of [1-(2-methylsulfonylethyl)piperidin-2-yl]methanol?
The InChIKey is FSVCPRHUBMNPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-14(12,13)7-6-10-5-3-2-4-9(10)8-11/h9,11H,2-8H2,1H3.
What are the key properties of [1-(2-methylsulfonylethyl)piperidin-2-yl]methanol?
[1-(2-methylsulfonylethyl)piperidin-2-yl]methanol has a molecular weight of 221.32 g/mol, XLogP of -0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylsulfonylethyl)piperidin-2-yl]methanol is sourced from PubChem (CID 60967180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).