sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline)

C18H24N2O4S — CID 175785291

IUPACsulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline)
SMILESO=S(=O)(O)O.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCNC2
InChIInChI=1S/2C9H11N.H2O4S/c2*1-2-4-9-7-10-6-5-8(9)3-1;1-5(2,3)4/h2*1-4,10H,5-7H2;(H2,1,2,3,4)
InChIKeyADQGLJNMUVUBOQ-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.01
Rot. Bonds

About sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline)

sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline) (PubChem CID 175785291) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline).

Molecular Properties

Compound Namesulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline)
PubChem CID175785291
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Namesulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline)
SMILESO=S(=O)(O)O.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCNC2
InChIInChI=1S/2C9H11N.H2O4S/c2*1-2-4-9-7-10-6-5-8(9)3-1;1-5(2,3)4/h2*1-4,10H,5-7H2;(H2,1,2,3,4)
InChIKeyADQGLJNMUVUBOQ-UHFFFAOYSA-N
XLogP2.01
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-tetrahydroisoquinoline;hydroiodide
CID 141050859
bis(1,2,3,4-tetrahydroisoquinoline);dihydrobromide
CID 173168768
acetamide;1,2,3,4-tetrahydroisoquinoline
CID 67612975
1,2,3,4-tetrahydroisoquinoline;2,2,2-trifluoroacetic acid
CID 67161114
bis(1,2,3,4-tetrahydroisoquinoline);bis(2,2,2-trifluoroacetic acid)
CID 171932237
azepane;1,2,3,4-tetrahydroisoquinoline
CID 67675496
2,3-dihydro-1H-indole;1,2,3,4-tetrahydroisoquinoline
CID 159567822
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CID 145125160
1,2,3,4,5,6,7,8-octahydro-3,6-benzodiazecine
CID 156519075
azane;2,3,4,5-tetrahydro-1H-3-benzazepine
CID 135204749
benzene;2,3-dihydro-1H-isoindole
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CID 23342931

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline)?
The IUPAC name of sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline) (CID 175785291) is sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline).
What is the SMILES notation for sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline)?
The canonical SMILES for sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline) is O=S(=O)(O)O.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCNC2.
What is the InChIKey of sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline)?
The InChIKey is ADQGLJNMUVUBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.H2O4S/c2*1-2-4-9-7-10-6-5-8(9)3-1;1-5(2,3)4/h2*1-4,10H,5-7H2;(H2,1,2,3,4).
What are the key properties of sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline)?
sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline) has a molecular weight of 364.47 g/mol, XLogP of 2.01, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline) is sourced from PubChem (CID 175785291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).