(3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine

C14H23N3O2S — CID 125013427

IUPAC(3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
SMILESO=S(=O)(C1CCCC1)N1CCC[C@@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C14H23N3O2S/c18-20(19,14-5-1-2-6-14)17-9-3-4-12(11-17)10-13-7-8-15-16-13/h7-8,12,14H,1-6,9-11H2,(H,15,16)/t12-/m0/s1
InChIKeyWFCJOTXRZFWCDD-LBPRGKRZSA-N
MW297.42 g/mol
LogP1.94
Rot. Bonds4

About (3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine

(3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine (PubChem CID 125013427) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is (3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine.

Molecular Properties

Compound Name(3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
PubChem CID125013427
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name(3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
SMILESO=S(=O)(C1CCCC1)N1CCC[C@@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C14H23N3O2S/c18-20(19,14-5-1-2-6-14)17-9-3-4-12(11-17)10-13-7-8-15-16-13/h7-8,12,14H,1-6,9-11H2,(H,15,16)/t12-/m0/s1
InChIKeyWFCJOTXRZFWCDD-LBPRGKRZSA-N
XLogP1.94
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 124972358
(3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 125006262
(3S)-1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 124997607
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790573
(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106358
3-(bromomethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693991
4,6-dimethyl-2-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]pyrimidine
CID 124951929
2-(4-methoxyphenoxy)-1-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 110106487
2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124968736
(2-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125001802
3-(2-chloroethyl)-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102693933

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine?
The IUPAC name of (3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine (CID 125013427) is (3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine.
What is the SMILES notation for (3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine?
The canonical SMILES for (3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine is O=S(=O)(C1CCCC1)N1CCC[C@@H](Cc2ccn[nH]2)C1.
What is the InChIKey of (3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine?
The InChIKey is WFCJOTXRZFWCDD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O2S/c18-20(19,14-5-1-2-6-14)17-9-3-4-12(11-17)10-13-7-8-15-16-13/h7-8,12,14H,1-6,9-11H2,(H,15,16)/t12-/m0/s1.
What are the key properties of (3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine?
(3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine has a molecular weight of 297.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopentylsulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine is sourced from PubChem (CID 125013427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).