1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine

C15H19N3O2S — CID 45212473

IUPAC1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine
SMILESO=S(=O)(Cc1ccccc1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H19N3O2S/c19-21(20,12-13-5-2-1-3-6-13)18-10-4-7-14(11-18)15-8-9-16-17-15/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,16,17)
InChIKeySGFATKXLIFAPSY-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.12
Rot. Bonds4

About 1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine

1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine (PubChem CID 45212473) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine
PubChem CID45212473
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine
SMILESO=S(=O)(Cc1ccccc1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H19N3O2S/c19-21(20,12-13-5-2-1-3-6-13)18-10-4-7-14(11-18)15-8-9-16-17-15/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,16,17)
InChIKeySGFATKXLIFAPSY-UHFFFAOYSA-N
XLogP2.12
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylsulfonylpiperidin-3-yl)-1H-benzimidazole
CID 91946903
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
(1-benzylsulfonylpiperidin-3-yl)-(4-fluorophenyl)methanone
CID 110394840
N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
(3S)-1-benzylsulfonylpiperidin-3-ol
CID 92966032
2-(1-benzylsulfonylpiperidin-3-yl)-3-(2-fluorophenyl)pyrazine
CID 110255013
2-cyclopropyl-2-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonylethoxy]acetonitrile
CID 138046973
2-chloro-5-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,3-thiazole
CID 61047388
2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122257583
5-[(3S)-1-benzylsulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 1453789
5-[(3R)-1-benzylsulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 1453786
2-(2-phenylethoxy)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95768623

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine (CID 45212473) is 1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine is O=S(=O)(Cc1ccccc1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine?
The InChIKey is SGFATKXLIFAPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c19-21(20,12-13-5-2-1-3-6-13)18-10-4-7-14(11-18)15-8-9-16-17-15/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,16,17).
What are the key properties of 1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine?
1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine has a molecular weight of 305.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-3-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 45212473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).