(1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol

C11H23NO3S — CID 164638196

IUPAC(1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol
SMILESCC[C@H](O)C1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO3S/c1-3-11(13)10-4-6-12(7-5-10)8-9-16(2,14)15/h10-11,13H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyKUXCDTNZUXENEL-NSHDSACASA-N
MW249.38 g/mol
LogP0.51
Rot. Bonds5

About (1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol

(1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol (PubChem CID 164638196) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is (1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol
PubChem CID164638196
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name(1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol
SMILESCC[C@H](O)C1CCN(CCS(C)(=O)=O)CC1
InChIInChI=1S/C11H23NO3S/c1-3-11(13)10-4-6-12(7-5-10)8-9-16(2,14)15/h10-11,13H,3-9H2,1-2H3/t11-/m0/s1
InChIKeyKUXCDTNZUXENEL-NSHDSACASA-N
XLogP0.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Isopropoxymethyl)-1-[2-(methylsulfonyl)ethyl]piperidine
CID 131947962
(1S)-1-[1-(2-cyclopropylethylsulfonyl)piperidin-4-yl]ethanol
CID 164639391
2,2,2-Trifluoro-1-[1-(2-methylpentylsulfonyl)piperidin-4-yl]ethanol
CID 112316781
1-[1-(2-Ethylsulfonylethyl)piperidin-4-yl]-2,2,2-trifluoroethanol
CID 112326728
2,2,2-Trifluoro-1-[1-(4-methylsulfonylbutyl)piperidin-4-yl]ethanol
CID 112326739
2,2,2-Trifluoro-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]ethanol
CID 112326806
2,2,2-Trifluoro-1-[1-(3-propan-2-ylsulfonylpropyl)piperidin-4-yl]ethanol
CID 112326851
2-Hydroxy-2-(1-methylpiperidin-3-yl)ethanesulfonyl fluoride
CID 115035012
2-Hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonyl fluoride
CID 115035013
3-[4-Hydroxy-1-(4-methylpentyl)piperidin-1-ium-1-yl]propane-1-sulfonic acid
CID 20671728
[1-(Ethanesulfonyl)piperidin-4-yl]methanol
CID 28345405
3-[1-(2-Methylsulfonylethyl)piperidin-4-yl]propan-1-ol
CID 54242414

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol?
The IUPAC name of (1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol (CID 164638196) is (1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol is CC[C@H](O)C1CCN(CCS(C)(=O)=O)CC1.
What is the InChIKey of (1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol?
The InChIKey is KUXCDTNZUXENEL-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NO3S/c1-3-11(13)10-4-6-12(7-5-10)8-9-16(2,14)15/h10-11,13H,3-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol?
(1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(2-methylsulfonylethyl)piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 164638196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).