(amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate

C2H9NO5S2 — CID 89407644

IUPAC(amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate
SMILESCS(C)(N)(=O)OS(=O)(=O)O
InChIInChI=1S/C2H9NO5S2/c1-10(2,3,7)8-9(4,5)6/h1-2H3,(H2,3,7)(H,4,5,6)
InChIKeyUYGLONVCEPLJOP-UHFFFAOYSA-N
MW191.23 g/mol
LogP-1.33
Rot. Bonds2

About (amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate

(amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate (PubChem CID 89407644) has the molecular formula C2H9NO5S2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate.

Molecular Properties

Compound Name(amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate
PubChem CID89407644
Molecular FormulaC2H9NO5S2
Molecular Weight191.23 g/mol
Exact Mass190.99
IUPAC Name(amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate
SMILESCS(C)(N)(=O)OS(=O)(=O)O
InChIInChI=1S/C2H9NO5S2/c1-10(2,3,7)8-9(4,5)6/h1-2H3,(H2,3,7)(H,4,5,6)
InChIKeyUYGLONVCEPLJOP-UHFFFAOYSA-N
XLogP-1.33
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 18924051
CID 18924051
Methylsulfonylsulfamic acid
CID 20281755
(Amino-hydroxy-methyl-oxo-lambda6-sulfanyl)methane
CID 20659465
N-[dimethyl(oxido)-lambda4-sulfanyl]methanesulfonamide
CID 20716949
Methanesulfonamide;sulfuric acid
CID 21418740
Methanesulfonic acid;methylsulfinylmethane
CID 21507185
Methanesulfonic acid;sulfamic acid
CID 21617510
Dmso H2SO4
CID 22400901
N-(hydroxy-methylidene-oxo-lambda6-sulfanyl)methanesulfonamide
CID 56634009
N-methylsulfonylmethanesulfonimidic acid
CID 58300652
Methylsulfonylsulfamoylmethanesulfonic acid
CID 59645093
(S-methyl-N-sulfinosulfonimidoyl)-methylsulfonylmethane;rutherfordium
CID 59979005

Frequently Asked Questions

What is the IUPAC name of (amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate?
The IUPAC name of (amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate (CID 89407644) is (amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate.
What is the SMILES notation for (amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate?
The canonical SMILES for (amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate is CS(C)(N)(=O)OS(=O)(=O)O.
What is the InChIKey of (amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate?
The InChIKey is UYGLONVCEPLJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9NO5S2/c1-10(2,3,7)8-9(4,5)6/h1-2H3,(H2,3,7)(H,4,5,6).
What are the key properties of (amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate?
(amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate has a molecular weight of 191.23 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (amino-dimethyl-oxo-λ6-sulfanyl) hydrogen sulfate is sourced from PubChem (CID 89407644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).