amino(methylamino)methanesulfonic acid;formic acid

C3H10N2O5S — CID 174888998

IUPACamino(methylamino)methanesulfonic acid;formic acid
SMILESCNC(N)S(=O)(=O)O.O=CO
InChIInChI=1S/C2H8N2O3S.CH2O2/c1-4-2(3)8(5,6)7;2-1-3/h2,4H,3H2,1H3,(H,5,6,7);1H,(H,2,3)
InChIKeyWNTXTGYOSLCDBQ-UHFFFAOYSA-N
MW186.19 g/mol
LogP-1.96
Rot. Bonds2

About amino(methylamino)methanesulfonic acid;formic acid

amino(methylamino)methanesulfonic acid;formic acid (PubChem CID 174888998) has the molecular formula C3H10N2O5S and a molecular weight of 186.19 g/mol. Its IUPAC name is amino(methylamino)methanesulfonic acid;formic acid.

Molecular Properties

Compound Nameamino(methylamino)methanesulfonic acid;formic acid
PubChem CID174888998
Molecular FormulaC3H10N2O5S
Molecular Weight186.19 g/mol
Exact Mass186.03
IUPAC Nameamino(methylamino)methanesulfonic acid;formic acid
SMILESCNC(N)S(=O)(=O)O.O=CO
InChIInChI=1S/C2H8N2O3S.CH2O2/c1-4-2(3)8(5,6)7;2-1-3/h2,4H,3H2,1H3,(H,5,6,7);1H,(H,2,3)
InChIKeyWNTXTGYOSLCDBQ-UHFFFAOYSA-N
XLogP-1.96
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

dilithium;formic acid;hydride;sulfamic acid
CID 174979173
formic acid;sulfamide
CID 155125377
ethanesulfonic acid;formic acid
CID 87503053
ethane-1,1-disulfonic acid;formamide
CID 175238260
1-amino-2-formamidoethanesulfonic acid
CID 139212047
ethane;N-methylformamide;sulfuric acid
CID 175117492
amino hydrogen sulfate;formic acid
CID 174971320
dimethylalumane;formic acid
CID 174652827
1,2-bis(methylamino)ethanesulfonic acid
CID 141250999
formic acid;1-methoxyethanamine
CID 87579928
(2S,3R)-3-aminobutane-2-sulfonic acid
CID 123572619
1-aminopropane-1-sulfonic acid;2-(2-hydroxyethylamino)ethanol
CID 174735970

Frequently Asked Questions

What is the IUPAC name of amino(methylamino)methanesulfonic acid;formic acid?
The IUPAC name of amino(methylamino)methanesulfonic acid;formic acid (CID 174888998) is amino(methylamino)methanesulfonic acid;formic acid.
What is the SMILES notation for amino(methylamino)methanesulfonic acid;formic acid?
The canonical SMILES for amino(methylamino)methanesulfonic acid;formic acid is CNC(N)S(=O)(=O)O.O=CO.
What is the InChIKey of amino(methylamino)methanesulfonic acid;formic acid?
The InChIKey is WNTXTGYOSLCDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O3S.CH2O2/c1-4-2(3)8(5,6)7;2-1-3/h2,4H,3H2,1H3,(H,5,6,7);1H,(H,2,3).
What are the key properties of amino(methylamino)methanesulfonic acid;formic acid?
amino(methylamino)methanesulfonic acid;formic acid has a molecular weight of 186.19 g/mol, XLogP of -1.96, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino(methylamino)methanesulfonic acid;formic acid is sourced from PubChem (CID 174888998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).