methanamine;methane;sulfuric acid

C3H16N2O4S — CID 173391364

IUPACmethanamine;methane;sulfuric acid
SMILESC.CN.CN.O=S(=O)(O)O
InChIInChI=1S/2CH5N.CH4.H2O4S/c2*1-2;;1-5(2,3)4/h2*2H2,1H3;1H4;(H2,1,2,3,4)
InChIKeyIHUVQTOUCKWLNA-UHFFFAOYSA-N
MW176.24 g/mol
LogP-0.87
Rot. Bonds

About methanamine;methane;sulfuric acid

methanamine;methane;sulfuric acid (PubChem CID 173391364) has the molecular formula C3H16N2O4S and a molecular weight of 176.24 g/mol. Its IUPAC name is methanamine;methane;sulfuric acid.

Molecular Properties

Compound Namemethanamine;methane;sulfuric acid
PubChem CID173391364
Molecular FormulaC3H16N2O4S
Molecular Weight176.24 g/mol
Exact Mass176.08
IUPAC Namemethanamine;methane;sulfuric acid
SMILESC.CN.CN.O=S(=O)(O)O
InChIInChI=1S/2CH5N.CH4.H2O4S/c2*1-2;;1-5(2,3)4/h2*2H2,1H3;1H4;(H2,1,2,3,4)
InChIKeyIHUVQTOUCKWLNA-UHFFFAOYSA-N
XLogP-0.87
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.87
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

methane;sulfuric acid
CID 174865737
ethanol;methanamine;sulfuric acid
CID 174912363
methane;sulfuric acid;zirconium
CID 174991893
methane;sulfuric acid;hydrate
CID 174518914
azane;methane;sulfuric acid
CID 174862240
methanol;sulfuric acid
CID 174902694
hydroxylamine;sulfuric acid
CID 173362225
ethane;sulfuric acid
CID 174865721
sulfuric acid;tetramethyl-λ4-sulfane
CID 87168995
methane;sulfamic acid
CID 87277660
sulfuric acid;thiohydroxylamine
CID 173300370
methane;methanesulfonic acid
CID 87535456

Frequently Asked Questions

What is the IUPAC name of methanamine;methane;sulfuric acid?
The IUPAC name of methanamine;methane;sulfuric acid (CID 173391364) is methanamine;methane;sulfuric acid.
What is the SMILES notation for methanamine;methane;sulfuric acid?
The canonical SMILES for methanamine;methane;sulfuric acid is C.CN.CN.O=S(=O)(O)O.
What is the InChIKey of methanamine;methane;sulfuric acid?
The InChIKey is IHUVQTOUCKWLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH5N.CH4.H2O4S/c2*1-2;;1-5(2,3)4/h2*2H2,1H3;1H4;(H2,1,2,3,4).
What are the key properties of methanamine;methane;sulfuric acid?
methanamine;methane;sulfuric acid has a molecular weight of 176.24 g/mol, XLogP of -0.87, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;methane;sulfuric acid is sourced from PubChem (CID 173391364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).