1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one

C9H13N3O3S — CID 104709956

IUPAC1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one
SMILESCn1nccc1S(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C9H13N3O3S/c1-11-9(2-5-10-11)16(14,15)12-6-3-8(13)4-7-12/h2,5H,3-4,6-7H2,1H3
InChIKeyUOUHYFAIYWVJCA-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.23
Rot. Bonds2

About 1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one

1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one (PubChem CID 104709956) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one
PubChem CID104709956
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one
SMILESCn1nccc1S(=O)(=O)N1CCC(=O)CC1
InChIInChI=1S/C9H13N3O3S/c1-11-9(2-5-10-11)16(14,15)12-6-3-8(13)4-7-12/h2,5H,3-4,6-7H2,1H3
InChIKeyUOUHYFAIYWVJCA-UHFFFAOYSA-N
XLogP-0.23
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpyrazol-3-yl)sulfonyl-1,4-diazepan-5-one
CID 113443979
2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propan-1-amine
CID 104709342
methyl 1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboxylate
CID 113444014
N-[[1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-yl]methyl]ethanamine
CID 104710312
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120708376
2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]propanethioamide
CID 104709938
N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide
CID 107162716
[4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]methanamine
CID 114960765
4-(methoxymethyl)-1-(2-methylpyrazol-3-yl)sulfonylazepane
CID 139013446
2-[4-(2-methylpyrazol-3-yl)sulfonylpiperazin-1-yl]butanenitrile
CID 104709878
3-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-amine
CID 104710309
1-(2-methylpyrazol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 104709610

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one?
The IUPAC name of 1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one (CID 104709956) is 1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one is Cn1nccc1S(=O)(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one?
The InChIKey is UOUHYFAIYWVJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-11-9(2-5-10-11)16(14,15)12-6-3-8(13)4-7-12/h2,5H,3-4,6-7H2,1H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one?
1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one has a molecular weight of 243.29 g/mol, XLogP of -0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)sulfonylpiperidin-4-one is sourced from PubChem (CID 104709956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).