bis(4-methylsulfonylpiperazin-1-yl)alumane

C10H23AlN4O4S2 — CID 173148383

IUPACbis(4-methylsulfonylpiperazin-1-yl)alumane
SMILESCS(=O)(=O)N1CCN([AlH]N2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/2C5H11N2O2S.Al.H/c2*1-10(8,9)7-4-2-6-3-5-7;;/h2*2-5H2,1H3;;/q2*-1;+2;
InChIKeyDRYXLJNLNYQFMD-UHFFFAOYSA-N
MW354.43 g/mol
LogP-2.59
Rot. Bonds4

About bis(4-methylsulfonylpiperazin-1-yl)alumane

bis(4-methylsulfonylpiperazin-1-yl)alumane (PubChem CID 173148383) has the molecular formula C10H23AlN4O4S2 and a molecular weight of 354.43 g/mol. Its IUPAC name is bis(4-methylsulfonylpiperazin-1-yl)alumane.

Molecular Properties

Compound Namebis(4-methylsulfonylpiperazin-1-yl)alumane
PubChem CID173148383
Molecular FormulaC10H23AlN4O4S2
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Namebis(4-methylsulfonylpiperazin-1-yl)alumane
SMILESCS(=O)(=O)N1CCN([AlH]N2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/2C5H11N2O2S.Al.H/c2*1-10(8,9)7-4-2-6-3-5-7;;/h2*2-5H2,1H3;;/q2*-1;+2;
InChIKeyDRYXLJNLNYQFMD-UHFFFAOYSA-N
XLogP-2.59
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 ≤ 5-2.59
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)alumane?
The IUPAC name of bis(4-methylsulfonylpiperazin-1-yl)alumane (CID 173148383) is bis(4-methylsulfonylpiperazin-1-yl)alumane.
What is the SMILES notation for bis(4-methylsulfonylpiperazin-1-yl)alumane?
The canonical SMILES for bis(4-methylsulfonylpiperazin-1-yl)alumane is CS(=O)(=O)N1CCN([AlH]N2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of bis(4-methylsulfonylpiperazin-1-yl)alumane?
The InChIKey is DRYXLJNLNYQFMD-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;+2;.
What are the key properties of bis(4-methylsulfonylpiperazin-1-yl)alumane?
bis(4-methylsulfonylpiperazin-1-yl)alumane has a molecular weight of 354.43 g/mol, XLogP of -2.59, 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)alumane is sourced from PubChem (CID 173148383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).