1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C17H24N4O2S — CID 133448976

IUPAC1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCCN(c2ccccc2S(C)(=O)=O)C1
InChIInChI=1S/C17H24N4O2S/c1-13(2)21-12-18-19-17(21)14-7-6-10-20(11-14)15-8-4-5-9-16(15)24(3,22)23/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3
InChIKeyUUGTZLLFVHSMOT-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.65
Rot. Bonds4

About 1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 133448976) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID133448976
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCCN(c2ccccc2S(C)(=O)=O)C1
InChIInChI=1S/C17H24N4O2S/c1-13(2)21-12-18-19-17(21)14-7-6-10-20(11-14)15-8-4-5-9-16(15)24(3,22)23/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3
InChIKeyUUGTZLLFVHSMOT-UHFFFAOYSA-N
XLogP2.65
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 133448836
1-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanone
CID 63845141
8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 133448951
1-(4-iodo-2-nitrophenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 133448933
3-fluoro-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]benzonitrile
CID 133448595
2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine
CID 133448924
8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 133449020
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971
2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]acetamide
CID 133355858
3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine
CID 133448850
2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol
CID 62358143
3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 97086014

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 133448976) is 1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CC(C)n1cnnc1C1CCCN(c2ccccc2S(C)(=O)=O)C1.
What is the InChIKey of 1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is UUGTZLLFVHSMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13(2)21-12-18-19-17(21)14-7-6-10-20(11-14)15-8-4-5-9-16(15)24(3,22)23/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3.
What are the key properties of 1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 348.47 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 133448976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).