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

C15H20N4O4S — CID 121165181

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1OC
InChIInChI=1S/C15H20N4O4S/c1-22-14-4-3-13(11-15(14)23-2)24(20,21)18-9-5-12(6-10-18)19-16-7-8-17-19/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3
InChIKeyCBOUMSFZFPZOQD-UHFFFAOYSA-N
MW352.42 g/mol
LogP1.32
Rot. Bonds5

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

1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine (PubChem CID 121165181) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
PubChem CID121165181
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1OC
InChIInChI=1S/C15H20N4O4S/c1-22-14-4-3-13(11-15(14)23-2)24(20,21)18-9-5-12(6-10-18)19-16-7-8-17-19/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3
InChIKeyCBOUMSFZFPZOQD-UHFFFAOYSA-N
XLogP1.32
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-(triazol-2-yl)piperidine
CID 121165211
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585253
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160541
1-(3,4-dimethoxyphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584724
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286770
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
CID 110289836
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
4-cyclopropylidene-1-(3,4-dimethoxyphenyl)sulfonylpiperidine
CID 121187227

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine (CID 121165181) is 1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine is COc1ccc(S(=O)(=O)N2CCC(n3nccn3)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine?
The InChIKey is CBOUMSFZFPZOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-22-14-4-3-13(11-15(14)23-2)24(20,21)18-9-5-12(6-10-18)19-16-7-8-17-19/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine?
1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine has a molecular weight of 352.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine is sourced from PubChem (CID 121165181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).