(2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine

C18H25N3O2S — CID 95750526

IUPAC(2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine
SMILESCc1cnn(C[C@H]2CCCCN2CCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H25N3O2S/c1-16-13-19-21(14-16)15-17-7-5-6-10-20(17)11-12-24(22,23)18-8-3-2-4-9-18/h2-4,8-9,13-14,17H,5-7,10-12,15H2,1H3/t17-/m1/s1
InChIKeyHRYTYYGXRUHWJC-QGZVFWFLSA-N
MW347.48 g/mol
LogP2.52
Rot. Bonds6

About (2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine

(2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine (PubChem CID 95750526) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is (2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name(2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine
PubChem CID95750526
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name(2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine
SMILESCc1cnn(C[C@H]2CCCCN2CCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C18H25N3O2S/c1-16-13-19-21(14-16)15-17-7-5-6-10-20(17)11-12-24(22,23)18-8-3-2-4-9-18/h2-4,8-9,13-14,17H,5-7,10-12,15H2,1H3/t17-/m1/s1
InChIKeyHRYTYYGXRUHWJC-QGZVFWFLSA-N
XLogP2.52
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 95750525
1-[[(2S)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methyl]pyrazole
CID 95313531
1-[5-(benzenesulfonyl)pentyl]-4-methylpyrazole
CID 99120854
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 100841531
2-methyl-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinoxaline
CID 95611660
4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltriazole
CID 95609652
2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56780375
2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
CID 95609283
3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 95345376
1-[2-(benzenesulfonyl)ethyl]-2-(1,3-dioxolan-2-yl)piperidine
CID 56501348
(2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95318530
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95352253

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine?
The IUPAC name of (2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine (CID 95750526) is (2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine.
What is the SMILES notation for (2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine?
The canonical SMILES for (2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine is Cc1cnn(C[C@H]2CCCCN2CCS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of (2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine?
The InChIKey is HRYTYYGXRUHWJC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-16-13-19-21(14-16)15-17-7-5-6-10-20(17)11-12-24(22,23)18-8-3-2-4-9-18/h2-4,8-9,13-14,17H,5-7,10-12,15H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine?
(2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine has a molecular weight of 347.48 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine is sourced from PubChem (CID 95750526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).