3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol

C10H17N3O3S — CID 115872482

IUPAC3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C10H17N3O3S/c1-8-9(6-11-12-8)17(15,16)13-5-3-4-10(2,14)7-13/h6,14H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyWQNOXOIHZOZCKY-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.25
Rot. Bonds2

About 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol

3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol (PubChem CID 115872482) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol
PubChem CID115872482
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCC(C)(O)C1
InChIInChI=1S/C10H17N3O3S/c1-8-9(6-11-12-8)17(15,16)13-5-3-4-10(2,14)7-13/h6,14H,3-5,7H2,1-2H3,(H,11,12)
InChIKeyWQNOXOIHZOZCKY-UHFFFAOYSA-N
XLogP0.25
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
CID 54929965
7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996250
4,4-diethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 63162213
4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]thiomorpholine
CID 60910836
1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol
CID 81096526
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-ol
CID 62916778
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-yl]piperidine
CID 63174913
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine
CID 62068447
[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanol
CID 81208839
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol
CID 113343869
(3S)-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-3-amine;hydrochloride
CID 119999942
(3R)-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 104975074

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol?
The IUPAC name of 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol (CID 115872482) is 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol?
The canonical SMILES for 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol is Cc1[nH]ncc1S(=O)(=O)N1CCCC(C)(O)C1.
What is the InChIKey of 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol?
The InChIKey is WQNOXOIHZOZCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-8-9(6-11-12-8)17(15,16)13-5-3-4-10(2,14)7-13/h6,14H,3-5,7H2,1-2H3,(H,11,12).
What are the key properties of 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol?
3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol has a molecular weight of 259.33 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-ol is sourced from PubChem (CID 115872482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).