azane;2-(dimethylamino)-2-sulfopropanoic acid;methane

C6H18N2O5S — CID 174763177

IUPACazane;2-(dimethylamino)-2-sulfopropanoic acid;methane
SMILESC.CN(C)C(C)(C(=O)O)S(=O)(=O)O.N
InChIInChI=1S/C5H11NO5S.CH4.H3N/c1-5(4(7)8,6(2)3)12(9,10)11;;/h1-3H3,(H,7,8)(H,9,10,11);1H4;1H3
InChIKeyUBNVALJDEHQJFE-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.03
Rot. Bonds3

About azane;2-(dimethylamino)-2-sulfopropanoic acid;methane

azane;2-(dimethylamino)-2-sulfopropanoic acid;methane (PubChem CID 174763177) has the molecular formula C6H18N2O5S and a molecular weight of 230.29 g/mol. Its IUPAC name is azane;2-(dimethylamino)-2-sulfopropanoic acid;methane.

Molecular Properties

Compound Nameazane;2-(dimethylamino)-2-sulfopropanoic acid;methane
PubChem CID174763177
Molecular FormulaC6H18N2O5S
Molecular Weight230.29 g/mol
Exact Mass230.09
IUPAC Nameazane;2-(dimethylamino)-2-sulfopropanoic acid;methane
SMILESC.CN(C)C(C)(C(=O)O)S(=O)(=O)O.N
InChIInChI=1S/C5H11NO5S.CH4.H3N/c1-5(4(7)8,6(2)3)12(9,10)11;;/h1-3H3,(H,7,8)(H,9,10,11);1H4;1H3
InChIKeyUBNVALJDEHQJFE-UHFFFAOYSA-N
XLogP0.03
TPSA129.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-2-sulfopropanoic acid;ethanamine;methane
CID 174763512
(carboxy-hydroxy-sulfomethyl)-trimethylazanium
CID 22056773
N,N,2,2-tetramethylpropanamide;trifluoromethanesulfonic acid
CID 158997566
(2R)-2-amino-2-(dimethylamino)propanoic acid
CID 91435944
2-(dimethylamino)-2-iodopropanoic acid
CID 87761406
3-amino-2-methyl-2-sulfopropanoic acid
CID 20561416
1-(dimethylamino)-1-phenylethanesulfonic acid
CID 174528406
2-methylpropane-2-sulfonic acid;hydrofluoride
CID 87671931
[3-amino-1,1-di(prop-2-enoyloxy)propyl] prop-2-enoate;2-(dimethylamino)-1-methoxy-1-oxopropane-2-sulfonic acid
CID 174763518
sodium 2-(dimethylamino)-3-oxopent-4-ene-2-sulfonate
CID 141373046
2,2-dimethylpropanoic acid
CID 87781698
CID 88540915
CID 88540915

Frequently Asked Questions

What is the IUPAC name of azane;2-(dimethylamino)-2-sulfopropanoic acid;methane?
The IUPAC name of azane;2-(dimethylamino)-2-sulfopropanoic acid;methane (CID 174763177) is azane;2-(dimethylamino)-2-sulfopropanoic acid;methane.
What is the SMILES notation for azane;2-(dimethylamino)-2-sulfopropanoic acid;methane?
The canonical SMILES for azane;2-(dimethylamino)-2-sulfopropanoic acid;methane is C.CN(C)C(C)(C(=O)O)S(=O)(=O)O.N.
What is the InChIKey of azane;2-(dimethylamino)-2-sulfopropanoic acid;methane?
The InChIKey is UBNVALJDEHQJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO5S.CH4.H3N/c1-5(4(7)8,6(2)3)12(9,10)11;;/h1-3H3,(H,7,8)(H,9,10,11);1H4;1H3.
What are the key properties of azane;2-(dimethylamino)-2-sulfopropanoic acid;methane?
azane;2-(dimethylamino)-2-sulfopropanoic acid;methane has a molecular weight of 230.29 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(dimethylamino)-2-sulfopropanoic acid;methane is sourced from PubChem (CID 174763177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).