(2-azaniumyl-2-methylpropyl) sulfite

C4H11NO3S — CID 3776556

IUPAC(2-azaniumyl-2-methylpropyl) sulfite
SMILESCC(C)([NH3+])COS(=O)[O-]
InChIInChI=1S/C4H11NO3S/c1-4(2,5)3-8-9(6)7/h3,5H2,1-2H3,(H,6,7)
InChIKeyCZABDDYUPCMZQP-UHFFFAOYSA-N
MW153.20 g/mol
LogP-1.18
Rot. Bonds3

About (2-azaniumyl-2-methylpropyl) sulfite

(2-azaniumyl-2-methylpropyl) sulfite (PubChem CID 3776556) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is (2-azaniumyl-2-methylpropyl) sulfite.

Molecular Properties

Compound Name(2-azaniumyl-2-methylpropyl) sulfite
PubChem CID3776556
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name(2-azaniumyl-2-methylpropyl) sulfite
SMILESCC(C)([NH3+])COS(=O)[O-]
InChIInChI=1S/C4H11NO3S/c1-4(2,5)3-8-9(6)7/h3,5H2,1-2H3,(H,6,7)
InChIKeyCZABDDYUPCMZQP-UHFFFAOYSA-N
XLogP-1.18
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-azaniumyl-2-methylpropyl) sulfite?
The IUPAC name of (2-azaniumyl-2-methylpropyl) sulfite (CID 3776556) is (2-azaniumyl-2-methylpropyl) sulfite.
What is the SMILES notation for (2-azaniumyl-2-methylpropyl) sulfite?
The canonical SMILES for (2-azaniumyl-2-methylpropyl) sulfite is CC(C)([NH3+])COS(=O)[O-].
What is the InChIKey of (2-azaniumyl-2-methylpropyl) sulfite?
The InChIKey is CZABDDYUPCMZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-4(2,5)3-8-9(6)7/h3,5H2,1-2H3,(H,6,7).
What are the key properties of (2-azaniumyl-2-methylpropyl) sulfite?
(2-azaniumyl-2-methylpropyl) sulfite has a molecular weight of 153.20 g/mol, XLogP of -1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azaniumyl-2-methylpropyl) sulfite is sourced from PubChem (CID 3776556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).