bis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride

C10H23AlN4O4S2 — CID 69213915

IUPACbis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride
SMILESCS(=O)(=O)N1CCN([Al+]N2CCN(S(C)(=O)=O)CC2)CC1.[H-]
InChIInChI=1S/2C5H11N2O2S.Al.H/c2*1-10(8,9)7-4-2-6-3-5-7;;/h2*2-5H2,1H3;;/q2*-1;+3;-1
InChIKeyZRCWHCZZCJBMMA-UHFFFAOYSA-N
MW354.43 g/mol
LogP-2.21
Rot. Bonds4

About bis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride

bis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride (PubChem CID 69213915) has the molecular formula C10H23AlN4O4S2 and a molecular weight of 354.43 g/mol. Its IUPAC name is bis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride.

Molecular Properties

Compound Namebis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride
PubChem CID69213915
Molecular FormulaC10H23AlN4O4S2
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Namebis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride
SMILESCS(=O)(=O)N1CCN([Al+]N2CCN(S(C)(=O)=O)CC2)CC1.[H-]
InChIInChI=1S/2C5H11N2O2S.Al.H/c2*1-10(8,9)7-4-2-6-3-5-7;;/h2*2-5H2,1H3;;/q2*-1;+3;-1
InChIKeyZRCWHCZZCJBMMA-UHFFFAOYSA-N
XLogP-2.21
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 5-2.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride?
The IUPAC name of bis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride (CID 69213915) is bis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride.
What is the SMILES notation for bis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride?
The canonical SMILES for bis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride is CS(=O)(=O)N1CCN([Al+]N2CCN(S(C)(=O)=O)CC2)CC1.[H-].
What is the InChIKey of bis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride?
The InChIKey is ZRCWHCZZCJBMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11N2O2S.Al.H/c2*1-10(8,9)7-4-2-6-3-5-7;;/h2*2-5H2,1H3;;/q2*-1;+3;-1.
What are the key properties of bis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride?
bis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride has a molecular weight of 354.43 g/mol, XLogP of -2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylsulfonylpiperazin-1-yl)alumanylium;hydride is sourced from PubChem (CID 69213915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).