(3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine

C16H21N3O3S — CID 125006262

IUPAC(3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)cc1
InChIInChI=1S/C16H21N3O3S/c1-22-15-4-6-16(7-5-15)23(20,21)19-10-2-3-13(12-19)11-14-8-9-17-18-14/h4-9,13H,2-3,10-12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyUEXJTFBZAMDGPN-ZDUSSCGKSA-N
MW335.43 g/mol
LogP2.06
Rot. Bonds5

About (3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine

(3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine (PubChem CID 125006262) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is (3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name(3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
PubChem CID125006262
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name(3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)cc1
InChIInChI=1S/C16H21N3O3S/c1-22-15-4-6-16(7-5-15)23(20,21)19-10-2-3-13(12-19)11-14-8-9-17-18-14/h4-9,13H,2-3,10-12H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyUEXJTFBZAMDGPN-ZDUSSCGKSA-N
XLogP2.06
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 124972358
(3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 125013427
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776
2-(4-methoxyphenoxy)-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 110106487
5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 95845003
(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 124997607
3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913762
1-(4-fluorophenyl)sulfonyl-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine
CID 110106641
3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 110638702
1-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-diazepane
CID 82249735
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine?
The IUPAC name of (3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine (CID 125006262) is (3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine.
What is the SMILES notation for (3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine?
The canonical SMILES for (3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine is COc1ccc(S(=O)(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)cc1.
What is the InChIKey of (3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine?
The InChIKey is UEXJTFBZAMDGPN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-22-15-4-6-16(7-5-15)23(20,21)19-10-2-3-13(12-19)11-14-8-9-17-18-14/h4-9,13H,2-3,10-12H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine?
(3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine has a molecular weight of 335.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine is sourced from PubChem (CID 125006262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).