2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol

C11H21NO3S — CID 64988050

IUPAC2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol
SMILESO=S(=O)(CC1CC1)N1CCCCC1CCO
InChIInChI=1S/C11H21NO3S/c13-8-6-11-3-1-2-7-12(11)16(14,15)9-10-4-5-10/h10-11,13H,1-9H2
InChIKeyHOQCEWFELOATTF-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.96
Rot. Bonds5

About 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol

2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol (PubChem CID 64988050) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol
PubChem CID64988050
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol
SMILESO=S(=O)(CC1CC1)N1CCCCC1CCO
InChIInChI=1S/C11H21NO3S/c13-8-6-11-3-1-2-7-12(11)16(14,15)9-10-4-5-10/h10-11,13H,1-9H2
InChIKeyHOQCEWFELOATTF-UHFFFAOYSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62467761
2-(bromomethyl)-1-(cyclopropylmethylsulfonyl)azepane
CID 116639693
2-(1-methylsulfonylpiperidin-2-yl)ethanol
CID 60956631
2-(2-hydroxyethyl)piperidine-1-sulfonamide
CID 112689810
2-[1-(3-chloropropylsulfonyl)piperidin-2-yl]ethanol
CID 43654461
1-(bromomethylsulfonyl)-2-ethylpiperidine
CID 83093366
1-(cyclopropylmethylsulfonyl)piperidin-2-amine
CID 64987724
2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]acetic acid
CID 61453655
1-(bromomethylsulfonyl)-2-propylpiperidine
CID 83085891
N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 63880164
(1-propylsulfonylpiperidin-2-yl)methanol
CID 43574448
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 54878321

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol (CID 64988050) is 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol is O=S(=O)(CC1CC1)N1CCCCC1CCO.
What is the InChIKey of 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol?
The InChIKey is HOQCEWFELOATTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-8-6-11-3-1-2-7-12(11)16(14,15)9-10-4-5-10/h10-11,13H,1-9H2.
What are the key properties of 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol?
2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol has a molecular weight of 247.36 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol is sourced from PubChem (CID 64988050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).