1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone

C18H26N8O3S — CID 55601179

IUPAC1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)CN2CCN(c3nnnn3-c3ccccc3)CC2)CC1
InChIInChI=1S/C18H26N8O3S/c1-30(28,29)25-13-11-23(12-14-25)17(27)15-22-7-9-24(10-8-22)18-19-20-21-26(18)16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeySPECCDGEHXXMID-UHFFFAOYSA-N
MW434.53 g/mol
LogP-1.11
Rot. Bonds5

About 1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone

1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone (PubChem CID 55601179) has the molecular formula C18H26N8O3S and a molecular weight of 434.53 g/mol. Its IUPAC name is 1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
PubChem CID55601179
Molecular FormulaC18H26N8O3S
Molecular Weight434.53 g/mol
Exact Mass434.18
IUPAC Name1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
SMILESCS(=O)(=O)N1CCN(C(=O)CN2CCN(c3nnnn3-c3ccccc3)CC2)CC1
InChIInChI=1S/C18H26N8O3S/c1-30(28,29)25-13-11-23(12-14-25)17(27)15-22-7-9-24(10-8-22)18-19-20-21-26(18)16-5-3-2-4-6-16/h2-6H,7-15H2,1H3
InChIKeySPECCDGEHXXMID-UHFFFAOYSA-N
XLogP-1.11
TPSA107.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
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1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-prop-2-enylsulfanylethanone
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1-(azepan-1-yl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
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N-(4-tert-butylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone (CID 55601179) is 1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone is CS(=O)(=O)N1CCN(C(=O)CN2CCN(c3nnnn3-c3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone?
The InChIKey is SPECCDGEHXXMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O3S/c1-30(28,29)25-13-11-23(12-14-25)17(27)15-22-7-9-24(10-8-22)18-19-20-21-26(18)16-5-3-2-4-6-16/h2-6H,7-15H2,1H3.
What are the key properties of 1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone?
1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone has a molecular weight of 434.53 g/mol, XLogP of -1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 55601179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).