1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine

C15H20N4O4S — CID 121151428

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(n3ccnn3)CC2)c1
InChIInChI=1S/C15H20N4O4S/c1-22-13-3-4-14(23-2)15(11-13)24(20,21)18-8-5-12(6-9-18)19-10-7-16-17-19/h3-4,7,10-12H,5-6,8-9H2,1-2H3
InChIKeyBQBBMARPCUQIKS-UHFFFAOYSA-N
MW352.42 g/mol
LogP1.32
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine

1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine (PubChem CID 121151428) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine
PubChem CID121151428
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(n3ccnn3)CC2)c1
InChIInChI=1S/C15H20N4O4S/c1-22-13-3-4-14(23-2)15(11-13)24(20,21)18-8-5-12(6-9-18)19-10-7-16-17-19/h3-4,7,10-12H,5-6,8-9H2,1-2H3
InChIKeyBQBBMARPCUQIKS-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-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 99877483
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494347
4-(2,5-dimethoxyphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 110721462
1-(2,5-dimethoxyphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714214
N-cyclopropyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1093344
5-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 46300189
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine
CID 46286860
1-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-6,7-dihydro-4H-3,1-benzoxazin-2-one
CID 69436750
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 84563257
2-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-5-ethyl-1,3,4-thiadiazole
CID 30864220

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine (CID 121151428) is 1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine is COc1ccc(OC)c(S(=O)(=O)N2CCC(n3ccnn3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine?
The InChIKey is BQBBMARPCUQIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-22-13-3-4-14(23-2)15(11-13)24(20,21)18-8-5-12(6-9-18)19-10-7-16-17-19/h3-4,7,10-12H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine?
1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-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-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine is sourced from PubChem (CID 121151428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).