1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine

C11H19N3O2S — CID 51104640

IUPAC1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine
SMILESCS(=O)(=O)CCN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C11H19N3O2S/c1-17(15,16)9-8-14-6-3-10(4-7-14)11-2-5-12-13-11/h2,5,10H,3-4,6-9H2,1H3,(H,12,13)
InChIKeyPCLVREUQBBCCCU-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.63
Rot. Bonds4

About 1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine

1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine (PubChem CID 51104640) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine
PubChem CID51104640
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine
SMILESCS(=O)(=O)CCN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C11H19N3O2S/c1-17(15,16)9-8-14-6-3-10(4-7-14)11-2-5-12-13-11/h2,5,10H,3-4,6-9H2,1H3,(H,12,13)
InChIKeyPCLVREUQBBCCCU-UHFFFAOYSA-N
XLogP0.63
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 71927049
3-(5-methyl-1H-pyrazol-3-yl)-1-(3-methylsulfonylpropyl)piperidine
CID 71927051
1-methyl-4-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 95829678
4-(4-methylsulfonyl-1H-pyrazol-5-yl)-1-propan-2-ylpiperidine
CID 95841270
N,N-Dimethyl-3-[4-(1H-pyrazol-3-YL)piperidin-1-YL]propane-1-sulfonamide
CID 91828512
N-cyclopentyl-N-methyl-4-(1H-pyrazol-5-ylmethyl)piperidine-1-sulfonamide
CID 136573564
(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-(1H-pyrazol-5-yl)piperidine
CID 164629666
3-(1H-pyrazol-5-yl)butane-2-sulfonic acid;trifluoromethanesulfonic acid
CID 176300065
3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine
CID 73439220
1-(3-methylsulfonylpropyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 72121354
(3S)-1-(3-methylsulfonylpropyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 96104174
(3R)-1-(3-methylsulfonylpropyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 96104175

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine (CID 51104640) is 1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine is CS(=O)(=O)CCN1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of 1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine?
The InChIKey is PCLVREUQBBCCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-17(15,16)9-8-14-6-3-10(4-7-14)11-2-5-12-13-11/h2,5,10H,3-4,6-9H2,1H3,(H,12,13).
What are the key properties of 1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine?
1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine has a molecular weight of 257.36 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-4-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 51104640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).