1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine

C15H20N4O3S — CID 87052108

IUPAC1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCOc1cccc(S(=O)(=O)N2CCCCC2c2nncn2C)c1
InChIInChI=1S/C15H20N4O3S/c1-18-11-16-17-15(18)14-8-3-4-9-19(14)23(20,21)13-7-5-6-12(10-13)22-2/h5-7,10-11,14H,3-4,8-9H2,1-2H3
InChIKeyHWTNGWCERVWUAH-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.74
Rot. Bonds4

About 1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine

1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 87052108) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
PubChem CID87052108
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
SMILESCOc1cccc(S(=O)(=O)N2CCCCC2c2nncn2C)c1
InChIInChI=1S/C15H20N4O3S/c1-18-11-16-17-15(18)14-8-3-4-9-19(14)23(20,21)13-7-5-6-12(10-13)22-2/h5-7,10-11,14H,3-4,8-9H2,1-2H3
InChIKeyHWTNGWCERVWUAH-UHFFFAOYSA-N
XLogP1.74
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
(2S)-1-(1-methylimidazol-4-yl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95824716
(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2215364
2-(4-methyl-1,2,4-triazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 87052111
2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 56918990
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine
CID 146100837
(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 2215363
methyl 1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 81259925
3-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]-4-methyl-1,2,4-triazole
CID 75396604
4-[1-(3-methoxyphenyl)sulfonylpiperidin-2-yl]butanoic acid
CID 139020353
(2S)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257339
(2R)-1-(benzenesulfonyl)-2-(4-methoxyphenyl)azepane
CID 38257342

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine (CID 87052108) is 1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine is COc1cccc(S(=O)(=O)N2CCCCC2c2nncn2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is HWTNGWCERVWUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-18-11-16-17-15(18)14-8-3-4-9-19(14)23(20,21)13-7-5-6-12(10-13)22-2/h5-7,10-11,14H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine?
1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 336.42 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 87052108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).