azane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite

C9H17N2O3S- — CID 174631517

IUPACazane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite
SMILESCN(C)C.N.O=S([O-])O.c1cc2ccc1-2
InChIInChI=1S/C6H4.C3H9N.H3N.H2O3S/c1-2-6-4-3-5(1)6;1-4(2)3;;1-4(2)3/h1-4H;1-3H3;1H3;(H2,1,2,3)/p-1
InChIKeyCLVUDJDSNNXNES-UHFFFAOYSA-M
MW233.31 g/mol
LogP1.35
Rot. Bonds

About azane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite

azane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite (PubChem CID 174631517) has the molecular formula C9H17N2O3S- and a molecular weight of 233.31 g/mol. Its IUPAC name is azane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite.

Molecular Properties

Compound Nameazane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite
PubChem CID174631517
Molecular FormulaC9H17N2O3S-
Molecular Weight233.31 g/mol
Exact Mass233.10
IUPAC Nameazane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite
SMILESCN(C)C.N.O=S([O-])O.c1cc2ccc1-2
InChIInChI=1S/C6H4.C3H9N.H3N.H2O3S/c1-2-6-4-3-5(1)6;1-4(2)3;;1-4(2)3/h1-4H;1-3H3;1H3;(H2,1,2,3)/p-1
InChIKeyCLVUDJDSNNXNES-UHFFFAOYSA-M
XLogP1.35
TPSA98.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite?
The IUPAC name of azane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite (CID 174631517) is azane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite.
What is the SMILES notation for azane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite?
The canonical SMILES for azane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite is CN(C)C.N.O=S([O-])O.c1cc2ccc1-2.
What is the InChIKey of azane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite?
The InChIKey is CLVUDJDSNNXNES-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4.C3H9N.H3N.H2O3S/c1-2-6-4-3-5(1)6;1-4(2)3;;1-4(2)3/h1-4H;1-3H3;1H3;(H2,1,2,3)/p-1.
What are the key properties of azane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite?
azane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite has a molecular weight of 233.31 g/mol, XLogP of 1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bicyclo[2.2.0]hexa-1,3,5-triene;N,N-dimethylmethanamine;hydrogen sulfite is sourced from PubChem (CID 174631517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).