hydrogen sulfite;2-methylpropan-2-amine

C4H12NO3S- — CID 174801362

IUPAChydrogen sulfite;2-methylpropan-2-amine
SMILESCC(C)(C)N.O=S([O-])O
InChIInChI=1S/C4H11N.H2O3S/c1-4(2,3)5;1-4(2)3/h5H2,1-3H3;(H2,1,2,3)/p-1
InChIKeyISHBUKQUJFBKMJ-UHFFFAOYSA-M
MW154.21 g/mol
LogP0.08
Rot. Bonds

About hydrogen sulfite;2-methylpropan-2-amine

hydrogen sulfite;2-methylpropan-2-amine (PubChem CID 174801362) has the molecular formula C4H12NO3S- and a molecular weight of 154.21 g/mol. Its IUPAC name is hydrogen sulfite;2-methylpropan-2-amine.

Molecular Properties

Compound Namehydrogen sulfite;2-methylpropan-2-amine
PubChem CID174801362
Molecular FormulaC4H12NO3S-
Molecular Weight154.21 g/mol
Exact Mass154.05
IUPAC Namehydrogen sulfite;2-methylpropan-2-amine
SMILESCC(C)(C)N.O=S([O-])O
InChIInChI=1S/C4H11N.H2O3S/c1-4(2,3)5;1-4(2)3/h5H2,1-3H3;(H2,1,2,3)/p-1
InChIKeyISHBUKQUJFBKMJ-UHFFFAOYSA-M
XLogP0.08
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

n-t-Butylsulfonamide
CID 22273184
t-Butylammonium hydrogen sulfate
CID 24996679
2-Methylpropan-2-amine;sulfuric acid
CID 10964978
Sulfamic acid, (1,1-dimethylethyl)-
CID 9815239
2-Methyl-2-(sulfinoamino)propane
CID 17939962
2-Methylbutan-2-ylsulfamic acid
CID 20323420
2-methylpropan-2-amine;sulfurothioic O-acid
CID 20510319
N-hydroxysulfanyl-2-methylpropan-2-amine
CID 89110483
Tert-butylazanium;hydrogen sulfate;hydrate
CID 139938311
Tert-butylsulfamic acid;hydrate
CID 144414808
Tert-butylsulfamoyl hydrogen sulfate
CID 146204711
(1-Methylcyclopropyl)sulfamic acid
CID 153829729

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfite;2-methylpropan-2-amine?
The IUPAC name of hydrogen sulfite;2-methylpropan-2-amine (CID 174801362) is hydrogen sulfite;2-methylpropan-2-amine.
What is the SMILES notation for hydrogen sulfite;2-methylpropan-2-amine?
The canonical SMILES for hydrogen sulfite;2-methylpropan-2-amine is CC(C)(C)N.O=S([O-])O.
What is the InChIKey of hydrogen sulfite;2-methylpropan-2-amine?
The InChIKey is ISHBUKQUJFBKMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11N.H2O3S/c1-4(2,3)5;1-4(2)3/h5H2,1-3H3;(H2,1,2,3)/p-1.
What are the key properties of hydrogen sulfite;2-methylpropan-2-amine?
hydrogen sulfite;2-methylpropan-2-amine has a molecular weight of 154.21 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfite;2-methylpropan-2-amine is sourced from PubChem (CID 174801362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).