methanamine;propan-2-amine;sulfuric acid

C4H16N2O4S — CID 175134900

IUPACmethanamine;propan-2-amine;sulfuric acid
SMILESCC(C)N.CN.O=S(=O)(O)O
InChIInChI=1S/C3H9N.CH5N.H2O4S/c1-3(2)4;1-2;1-5(2,3)4/h3H,4H2,1-2H3;2H2,1H3;(H2,1,2,3,4)
InChIKeyISNWOTWAWWHBIV-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.72
Rot. Bonds

About methanamine;propan-2-amine;sulfuric acid

methanamine;propan-2-amine;sulfuric acid (PubChem CID 175134900) has the molecular formula C4H16N2O4S and a molecular weight of 188.25 g/mol. Its IUPAC name is methanamine;propan-2-amine;sulfuric acid.

Molecular Properties

Compound Namemethanamine;propan-2-amine;sulfuric acid
PubChem CID175134900
Molecular FormulaC4H16N2O4S
Molecular Weight188.25 g/mol
Exact Mass188.08
IUPAC Namemethanamine;propan-2-amine;sulfuric acid
SMILESCC(C)N.CN.O=S(=O)(O)O
InChIInChI=1S/C3H9N.CH5N.H2O4S/c1-3(2)4;1-2;1-5(2,3)4/h3H,4H2,1-2H3;2H2,1H3;(H2,1,2,3,4)
InChIKeyISNWOTWAWWHBIV-UHFFFAOYSA-N
XLogP-0.72
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.72
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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Frequently Asked Questions

What is the IUPAC name of methanamine;propan-2-amine;sulfuric acid?
The IUPAC name of methanamine;propan-2-amine;sulfuric acid (CID 175134900) is methanamine;propan-2-amine;sulfuric acid.
What is the SMILES notation for methanamine;propan-2-amine;sulfuric acid?
The canonical SMILES for methanamine;propan-2-amine;sulfuric acid is CC(C)N.CN.O=S(=O)(O)O.
What is the InChIKey of methanamine;propan-2-amine;sulfuric acid?
The InChIKey is ISNWOTWAWWHBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.CH5N.H2O4S/c1-3(2)4;1-2;1-5(2,3)4/h3H,4H2,1-2H3;2H2,1H3;(H2,1,2,3,4).
What are the key properties of methanamine;propan-2-amine;sulfuric acid?
methanamine;propan-2-amine;sulfuric acid has a molecular weight of 188.25 g/mol, XLogP of -0.72, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;propan-2-amine;sulfuric acid is sourced from PubChem (CID 175134900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).