2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone

C15H19N5O4S — CID 1263400

IUPAC2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone
SMILESCOc1ccc(-n2nnnc2S(=O)(=O)CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H19N5O4S/c1-24-13-7-5-12(6-8-13)20-15(16-17-18-20)25(22,23)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3
InChIKeyPHXZKHFAYUVEHK-UHFFFAOYSA-N
MW365.42 g/mol
LogP0.46
Rot. Bonds5

About 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone

2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone (PubChem CID 1263400) has the molecular formula C15H19N5O4S and a molecular weight of 365.42 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone
PubChem CID1263400
Molecular FormulaC15H19N5O4S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Name2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone
SMILESCOc1ccc(-n2nnnc2S(=O)(=O)CC(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H19N5O4S/c1-24-13-7-5-12(6-8-13)20-15(16-17-18-20)25(22,23)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3
InChIKeyPHXZKHFAYUVEHK-UHFFFAOYSA-N
XLogP0.46
TPSA107.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3228979
2-[1-(2,4-Dimethoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-1-(2,6-dimethyl-piperidin-1-yl)-ethanone
CID 652400
4-({[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]thio}acetyl)morpholine
CID 859708
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 1073205
2-[[4-(4-Methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 2548257
1-({[4-(4-methoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]thio}acetyl)-2,6-dimethylpiperidine
CID 2942563
N-(1,1-dioxothiolan-3-yl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 25163299
2-[1-(4-Methoxy-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 590597
2-((1-(2-fluorophenyl)-1H-tetrazol-5-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 1078049
N-cyclopropyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2596136
N-(1,1-dioxothiolan-3-yl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 3440822
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4333602

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone (CID 1263400) is 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone is COc1ccc(-n2nnnc2S(=O)(=O)CC(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone?
The InChIKey is PHXZKHFAYUVEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S/c1-24-13-7-5-12(6-8-13)20-15(16-17-18-20)25(22,23)11-14(21)19-9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone?
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone has a molecular weight of 365.42 g/mol, XLogP of 0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfonyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 1263400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).