1-propylsulfonyl-4-pyrazol-1-ylpiperidine

C11H19N3O2S — CID 110871195

IUPAC1-propylsulfonyl-4-pyrazol-1-ylpiperidine
SMILESCCCS(=O)(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C11H19N3O2S/c1-2-10-17(15,16)13-8-4-11(5-9-13)14-7-3-6-12-14/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeySCTZAMYFEDIJJG-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.26
Rot. Bonds4

About 1-propylsulfonyl-4-pyrazol-1-ylpiperidine

1-propylsulfonyl-4-pyrazol-1-ylpiperidine (PubChem CID 110871195) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-propylsulfonyl-4-pyrazol-1-ylpiperidine.

Molecular Properties

Compound Name1-propylsulfonyl-4-pyrazol-1-ylpiperidine
PubChem CID110871195
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-propylsulfonyl-4-pyrazol-1-ylpiperidine
SMILESCCCS(=O)(=O)N1CCC(n2cccn2)CC1
InChIInChI=1S/C11H19N3O2S/c1-2-10-17(15,16)13-8-4-11(5-9-13)14-7-3-6-12-14/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeySCTZAMYFEDIJJG-UHFFFAOYSA-N
XLogP1.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine
CID 110871226
N-[(1-propylsulfonylpiperidin-4-yl)methyl]-3-pyrazol-1-ylpropanamide
CID 131890431
4-(methylsulfonylmethyl)-1-propylsulfonylpiperidine
CID 110736097
1-(1-propylsulfonylpiperidin-4-yl)pyrrolidine-2,5-dione
CID 113083115
1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine
CID 90495378
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 110871238
1-cyclopentylpyrazole
CID 10844435
1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 110871203
4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine
CID 171142333
1-(2-methylpropylsulfonyl)-4-(triazol-1-yl)piperidine
CID 121151394

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-4-pyrazol-1-ylpiperidine?
The IUPAC name of 1-propylsulfonyl-4-pyrazol-1-ylpiperidine (CID 110871195) is 1-propylsulfonyl-4-pyrazol-1-ylpiperidine.
What is the SMILES notation for 1-propylsulfonyl-4-pyrazol-1-ylpiperidine?
The canonical SMILES for 1-propylsulfonyl-4-pyrazol-1-ylpiperidine is CCCS(=O)(=O)N1CCC(n2cccn2)CC1.
What is the InChIKey of 1-propylsulfonyl-4-pyrazol-1-ylpiperidine?
The InChIKey is SCTZAMYFEDIJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-2-10-17(15,16)13-8-4-11(5-9-13)14-7-3-6-12-14/h3,6-7,11H,2,4-5,8-10H2,1H3.
What are the key properties of 1-propylsulfonyl-4-pyrazol-1-ylpiperidine?
1-propylsulfonyl-4-pyrazol-1-ylpiperidine has a molecular weight of 257.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-4-pyrazol-1-ylpiperidine is sourced from PubChem (CID 110871195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).