1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine

C15H19N3O2S — CID 118741478

IUPAC1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
SMILESCc1ccccc1S(=O)(=O)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C15H19N3O2S/c1-12-6-2-3-8-15(12)21(19,20)18-11-5-4-7-14(18)13-9-10-16-17-13/h2-3,6,8-10,14H,4-5,7,11H2,1H3,(H,16,17)
InChIKeyVUKHZXWOMQBCFS-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.63
Rot. Bonds3

About 1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine

1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine (PubChem CID 118741478) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
PubChem CID118741478
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
SMILESCc1ccccc1S(=O)(=O)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C15H19N3O2S/c1-12-6-2-3-8-15(12)21(19,20)18-11-5-4-7-14(18)13-9-10-16-17-13/h2-3,6,8-10,14H,4-5,7,11H2,1H3,(H,16,17)
InChIKeyVUKHZXWOMQBCFS-UHFFFAOYSA-N
XLogP2.63
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole
CID 113089044
(2R)-1-(2-methylphenyl)sulfonyl-2-thiophen-2-ylazepane
CID 92502924
1-(3-fluorophenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 118740396
5-(1-ethylsulfonylpyrrolidin-2-yl)-1H-pyrazole
CID 110250144
2-methyl-5-[(2S)-1-(2-methylphenyl)sulfonylazepan-2-yl]-1,3,4-oxadiazole
CID 164630808
3-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyridine
CID 110271118
1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 110257208
2-methyl-4-[5-[2-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylthiophen-2-yl]-1,3-thiazole
CID 166193962
3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine
CID 157370024
3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 50809457
3-methyl-1-(2-methylphenyl)sulfonylpiperidin-2-amine
CID 107070797
2-methyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonylbenzonitrile
CID 119051789

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine (CID 118741478) is 1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine is Cc1ccccc1S(=O)(=O)N1CCCCC1c1ccn[nH]1.
What is the InChIKey of 1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine?
The InChIKey is VUKHZXWOMQBCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12-6-2-3-8-15(12)21(19,20)18-11-5-4-7-14(18)13-9-10-16-17-13/h2-3,6,8-10,14H,4-5,7,11H2,1H3,(H,16,17).
What are the key properties of 1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine?
1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine has a molecular weight of 305.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 118741478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).