1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine

C15H21N3O2S2 — CID 70768696

IUPAC1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine
SMILESCn1cc(S(=O)(=O)N2CCCCC2CCc2cccs2)cn1
InChIInChI=1S/C15H21N3O2S2/c1-17-12-15(11-16-17)22(19,20)18-9-3-2-5-13(18)7-8-14-6-4-10-21-14/h4,6,10-13H,2-3,5,7-9H2,1H3
InChIKeyOGTRRCFUUZAFEB-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.66
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine

1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine (PubChem CID 70768696) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine
PubChem CID70768696
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine
SMILESCn1cc(S(=O)(=O)N2CCCCC2CCc2cccs2)cn1
InChIInChI=1S/C15H21N3O2S2/c1-17-12-15(11-16-17)22(19,20)18-9-3-2-5-13(18)7-8-14-6-4-10-21-14/h4,6,10-13H,2-3,5,7-9H2,1H3
InChIKeyOGTRRCFUUZAFEB-UHFFFAOYSA-N
XLogP2.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-2-(2-thiophen-2-ylethyl)piperidine
CID 131915928
4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine
CID 70727742
(2S)-2-(tert-butylsulfanylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
CID 129357310
2-(tert-butylsulfanylmethyl)-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
CID 119105820
1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]propan-2-ol
CID 79546057
(1S)-1-(furan-2-yl)-2-[(2S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]ethanol
CID 97075660
(2S)-1-[(2-methylpyrazol-3-yl)methyl]-2-(2-thiophen-2-ylethyl)piperidine
CID 28954884
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 18574283
1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 17022440
1-methyl-6-[[(2R)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137048562
4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 94162249
1-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonylpyrazole
CID 95770651

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine (CID 70768696) is 1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine is Cn1cc(S(=O)(=O)N2CCCCC2CCc2cccs2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine?
The InChIKey is OGTRRCFUUZAFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-17-12-15(11-16-17)22(19,20)18-9-3-2-5-13(18)7-8-14-6-4-10-21-14/h4,6,10-13H,2-3,5,7-9H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine?
1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine has a molecular weight of 339.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)sulfonyl-2-(2-thiophen-2-ylethyl)piperidine is sourced from PubChem (CID 70768696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).