2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol

C11H19N3O3S — CID 124978760

IUPAC2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1CCO
InChIInChI=1S/C11H19N3O3S/c1-18(16,17)10-8-12-13-11(10)9-4-2-3-5-14(9)6-7-15/h8-9,15H,2-7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyLWDOAAPKFVGSCY-VIFPVBQESA-N
MW273.36 g/mol
LogP0.33
Rot. Bonds4

About 2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol

2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol (PubChem CID 124978760) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol
PubChem CID124978760
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol
SMILESCS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1CCO
InChIInChI=1S/C11H19N3O3S/c1-18(16,17)10-8-12-13-11(10)9-4-2-3-5-14(9)6-7-15/h8-9,15H,2-7H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyLWDOAAPKFVGSCY-VIFPVBQESA-N
XLogP0.33
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol (CID 124978760) is 2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol is CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCCN1CCO.
What is the InChIKey of 2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
The InChIKey is LWDOAAPKFVGSCY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-18(16,17)10-8-12-13-11(10)9-4-2-3-5-14(9)6-7-15/h8-9,15H,2-7H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol?
2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol has a molecular weight of 273.36 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanol is sourced from PubChem (CID 124978760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).