4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine

C17H24N4O4S — CID 91905002

IUPAC4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine
SMILESCOCCc1nncn1C1CCN(S(=O)(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N4O4S/c1-24-11-8-17-19-18-13-21(17)14-6-9-20(10-7-14)26(22,23)16-5-3-4-15(12-16)25-2/h3-5,12-14H,6-11H2,1-2H3
InChIKeyYOJBXVXUIUJQCH-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.50
Rot. Bonds7

About 4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine

4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine (PubChem CID 91905002) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine
PubChem CID91905002
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine
SMILESCOCCc1nncn1C1CCN(S(=O)(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C17H24N4O4S/c1-24-11-8-17-19-18-13-21(17)14-6-9-20(10-7-14)26(22,23)16-5-3-4-15(12-16)25-2/h3-5,12-14H,6-11H2,1-2H3
InChIKeyYOJBXVXUIUJQCH-UHFFFAOYSA-N
XLogP1.50
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
CID 91905089
1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616602
1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
CID 91914700
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
1-(3-methoxyphenyl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 87052108
1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-[(4-methylphenyl)methyl]piperazine-2,3-dione
CID 53084939
3-(methoxymethyl)-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121092334
1-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]-4-prop-2-enylpiperazine-2,3-dione
CID 53084933
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
1-(5-fluoro-2-methylphenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
CID 91905082

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine (CID 91905002) is 4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine is COCCc1nncn1C1CCN(S(=O)(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of 4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine?
The InChIKey is YOJBXVXUIUJQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-24-11-8-17-19-18-13-21(17)14-6-9-20(10-7-14)26(22,23)16-5-3-4-15(12-16)25-2/h3-5,12-14H,6-11H2,1-2H3.
What are the key properties of 4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine?
4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine has a molecular weight of 380.47 g/mol, XLogP of 1.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 91905002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).