azane;propan-2-ol;sulfuric acid

C3H16N2O5S — CID 174667034

IUPACazane;propan-2-ol;sulfuric acid
SMILESCC(C)O.N.N.O=S(=O)(O)O
InChIInChI=1S/C3H8O.2H3N.H2O4S/c1-3(2)4;;;1-5(2,3)4/h3-4H,1-2H3;2*1H3;(H2,1,2,3,4)
InChIKeyFVILXCDUXVISBK-UHFFFAOYSA-N
MW192.24 g/mol
LogP0.06
Rot. Bonds

About azane;propan-2-ol;sulfuric acid

azane;propan-2-ol;sulfuric acid (PubChem CID 174667034) has the molecular formula C3H16N2O5S and a molecular weight of 192.24 g/mol. Its IUPAC name is azane;propan-2-ol;sulfuric acid.

Molecular Properties

Compound Nameazane;propan-2-ol;sulfuric acid
PubChem CID174667034
Molecular FormulaC3H16N2O5S
Molecular Weight192.24 g/mol
Exact Mass192.08
IUPAC Nameazane;propan-2-ol;sulfuric acid
SMILESCC(C)O.N.N.O=S(=O)(O)O
InChIInChI=1S/C3H8O.2H3N.H2O4S/c1-3(2)4;;;1-5(2,3)4/h3-4H,1-2H3;2*1H3;(H2,1,2,3,4)
InChIKeyFVILXCDUXVISBK-UHFFFAOYSA-N
XLogP0.06
TPSA164.83 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 50.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 azane;propan-2-ol;sulfuric acid?
The IUPAC name of azane;propan-2-ol;sulfuric acid (CID 174667034) is azane;propan-2-ol;sulfuric acid.
What is the SMILES notation for azane;propan-2-ol;sulfuric acid?
The canonical SMILES for azane;propan-2-ol;sulfuric acid is CC(C)O.N.N.O=S(=O)(O)O.
What is the InChIKey of azane;propan-2-ol;sulfuric acid?
The InChIKey is FVILXCDUXVISBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.2H3N.H2O4S/c1-3(2)4;;;1-5(2,3)4/h3-4H,1-2H3;2*1H3;(H2,1,2,3,4).
What are the key properties of azane;propan-2-ol;sulfuric acid?
azane;propan-2-ol;sulfuric acid has a molecular weight of 192.24 g/mol, XLogP of 0.06, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;propan-2-ol;sulfuric acid is sourced from PubChem (CID 174667034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).