1-benzylsulfonyl-4-(1H-pyrazol-5-yl)piperidine

C15H19N3O2S — CID 131911683

IUPAC1-benzylsulfonyl-4-(1H-pyrazol-5-yl)piperidine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C15H19N3O2S/c19-21(20,12-13-4-2-1-3-5-13)18-10-7-14(8-11-18)15-6-9-16-17-15/h1-6,9,14H,7-8,10-12H2,(H,16,17)
InChIKeyLASAIPHMWHJOIJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.12
Rot. Bonds4

About 1-benzylsulfonyl-4-(1H-pyrazol-5-yl)piperidine

1-benzylsulfonyl-4-(1H-pyrazol-5-yl)piperidine (PubChem CID 131911683) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-(1H-pyrazol-5-yl)piperidine
PubChem CID131911683
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-benzylsulfonyl-4-(1H-pyrazol-5-yl)piperidine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C15H19N3O2S/c19-21(20,12-13-4-2-1-3-5-13)18-10-7-14(8-11-18)15-6-9-16-17-15/h1-6,9,14H,7-8,10-12H2,(H,16,17)
InChIKeyLASAIPHMWHJOIJ-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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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-benzylsulfonyl-4-(1H-pyrazol-5-yl)piperidine (CID 131911683) is 1-benzylsulfonyl-4-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-benzylsulfonyl-4-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-benzylsulfonyl-4-(1H-pyrazol-5-yl)piperidine is O=S(=O)(Cc1ccccc1)N1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of 1-benzylsulfonyl-4-(1H-pyrazol-5-yl)piperidine?
The InChIKey is LASAIPHMWHJOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c19-21(20,12-13-4-2-1-3-5-13)18-10-7-14(8-11-18)15-6-9-16-17-15/h1-6,9,14H,7-8,10-12H2,(H,16,17).
What are the key properties of 1-benzylsulfonyl-4-(1H-pyrazol-5-yl)piperidine?
1-benzylsulfonyl-4-(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-4-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 131911683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).