2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane

C4H9N2O4S2- — CID 23124796

IUPAC2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane
SMILESCC(C)(C)S(=O)(=O)[N+](=[N-])S(=O)[O-]
InChIInChI=1S/C4H10N2O4S2/c1-4(2,3)12(9,10)6(5)11(7)8/h1-3H3,(H,7,8)/p-1
InChIKeyXGWOYNOALPBBFH-UHFFFAOYSA-M
MW213.26 g/mol
LogP-0.06
Rot. Bonds2

About 2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane

2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane (PubChem CID 23124796) has the molecular formula C4H9N2O4S2- and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane.

Molecular Properties

Compound Name2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane
PubChem CID23124796
Molecular FormulaC4H9N2O4S2-
Molecular Weight213.26 g/mol
Exact Mass213.00
IUPAC Name2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane
SMILESCC(C)(C)S(=O)(=O)[N+](=[N-])S(=O)[O-]
InChIInChI=1S/C4H10N2O4S2/c1-4(2,3)12(9,10)6(5)11(7)8/h1-3H3,(H,7,8)/p-1
InChIKeyXGWOYNOALPBBFH-UHFFFAOYSA-M
XLogP-0.06
TPSA99.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

1,1-diaminoethanesulfinate
CID 90404877
2-tert-butylsulfinyl-2-methylpropane;2-tert-butylsulfonyl-2-methylpropane;methane
CID 161376368
1,1-difluoroethylsulfonyl sulfite
CID 167019443
sodium 1,1-difluoroethanesulfinate
CID 117065045
sodium tert-butyl oxido sulfate
CID 141117245
CID 22598897
CID 22598897
2-tert-butylsulfonyl-2-methylpropane;2-methyl-2-propan-2-ylsulfinylpropane
CID 162046049
2-methylpropane-2-sulfonic acid;hydrofluoride
CID 87671931
potassium;2-methylpropan-2-olate;methylsulfinylmethane
CID 87549036
CID 174012033
CID 174012033
CID 21392413
CID 21392413
1,3-dihydroxy-2-methyl-2-(sulfinatoamino)propane
CID 57419756

Frequently Asked Questions

What is the IUPAC name of 2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane?
The IUPAC name of 2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane (CID 23124796) is 2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane.
What is the SMILES notation for 2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane?
The canonical SMILES for 2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane is CC(C)(C)S(=O)(=O)[N+](=[N-])S(=O)[O-].
What is the InChIKey of 2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane?
The InChIKey is XGWOYNOALPBBFH-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10N2O4S2/c1-4(2,3)12(9,10)6(5)11(7)8/h1-3H3,(H,7,8)/p-1.
What are the key properties of 2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane?
2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane has a molecular weight of 213.26 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azanidylidene(sulfinato)azaniumyl]sulfonyl-2-methylpropane is sourced from PubChem (CID 23124796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).