λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid

C18H30N2O4PbS — CID 173242520

IUPACλ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
SMILESC[C@H](N)Cc1ccccc1.C[C@H](N)Cc1ccccc1.O=S(=O)(O)O.[PbH2]
InChIInChI=1S/2C9H13N.H2O4S.Pb.2H/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4;;;/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4);;;/t2*8-;;;;/m00..../s1
InChIKeyIPEUNOIZOYVWIO-NJXJZFGESA-N
MW577.72 g/mol
LogP1.58
Rot. Bonds4

About λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid

λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid (PubChem CID 173242520) has the molecular formula C18H30N2O4PbS and a molecular weight of 577.72 g/mol. Its IUPAC name is λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid.

Molecular Properties

Compound Nameλ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
PubChem CID173242520
Molecular FormulaC18H30N2O4PbS
Molecular Weight577.72 g/mol
Exact Mass578.17
IUPAC Nameλ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid
SMILESC[C@H](N)Cc1ccccc1.C[C@H](N)Cc1ccccc1.O=S(=O)(O)O.[PbH2]
InChIInChI=1S/2C9H13N.H2O4S.Pb.2H/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4;;;/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4);;;/t2*8-;;;;/m00..../s1
InChIKeyIPEUNOIZOYVWIO-NJXJZFGESA-N
XLogP1.58
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.72
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methanesulfonic acid;1-phenylpropan-2-amine
CID 173025540
methanesulfonic acid;(2S)-1-phenylpropan-2-amine
CID 87182702
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
azane;1-phenylpropan-2-amine
CID 67350534
(2R)-1-phenylpropan-2-amine;phosphoric acid
CID 76961595
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
tris(2-aminoacetic acid);1-phenylpropan-2-amine
CID 66730614
(2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine
CID 66730568
1-amino-2-phenylethanethiol;1-phenylpropan-2-amine
CID 160760295
bis(benzyl (3R)-3-aminobutanoate);sulfuric acid
CID 127256440
1-(3,4-dimethylphenyl)propan-2-amine;sulfuric acid
CID 23619205
deuterio (2S)-2,6-diaminohexanoate;methanesulfonic acid;1-phenylpropan-2-amine
CID 172706210

Frequently Asked Questions

What is the IUPAC name of λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid?
The IUPAC name of λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid (CID 173242520) is λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid.
What is the SMILES notation for λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid?
The canonical SMILES for λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid is C[C@H](N)Cc1ccccc1.C[C@H](N)Cc1ccccc1.O=S(=O)(O)O.[PbH2].
What is the InChIKey of λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid?
The InChIKey is IPEUNOIZOYVWIO-NJXJZFGESA-N. The full InChI is InChI=1S/2C9H13N.H2O4S.Pb.2H/c2*1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4;;;/h2*2-6,8H,7,10H2,1H3;(H2,1,2,3,4);;;/t2*8-;;;;/m00..../s1.
What are the key properties of λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid?
λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid has a molecular weight of 577.72 g/mol, XLogP of 1.58, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for λ2-plumbane;bis((2S)-1-phenylpropan-2-amine);sulfuric acid is sourced from PubChem (CID 173242520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).