oxalic acid;bis(7-thia-2-azaspiro[3.5]nonane)

C18H30N2O8S2 — CID 175688173

IUPACoxalic acid;bis(7-thia-2-azaspiro[3.5]nonane)
SMILESC1CC2(CCS1)CNC2.C1CC2(CCS1)CNC2.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/2C7H13NS.2C2H2O4/c2*1-3-9-4-2-7(1)5-8-6-7;2*3-1(4)2(5)6/h2*8H,1-6H2;2*(H,3,4)(H,5,6)
InChIKeyGIWAZSFEHWDHGC-UHFFFAOYSA-N
MW466.58 g/mol
LogP0.52
Rot. Bonds

About oxalic acid;bis(7-thia-2-azaspiro[3.5]nonane)

oxalic acid;bis(7-thia-2-azaspiro[3.5]nonane) (PubChem CID 175688173) has the molecular formula C18H30N2O8S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is oxalic acid;bis(7-thia-2-azaspiro[3.5]nonane).

Molecular Properties

Compound Nameoxalic acid;bis(7-thia-2-azaspiro[3.5]nonane)
PubChem CID175688173
Molecular FormulaC18H30N2O8S2
Molecular Weight466.58 g/mol
Exact Mass466.14
IUPAC Nameoxalic acid;bis(7-thia-2-azaspiro[3.5]nonane)
SMILESC1CC2(CCS1)CNC2.C1CC2(CCS1)CNC2.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/2C7H13NS.2C2H2O4/c2*1-3-9-4-2-7(1)5-8-6-7;2*3-1(4)2(5)6/h2*8H,1-6H2;2*(H,3,4)(H,5,6)
InChIKeyGIWAZSFEHWDHGC-UHFFFAOYSA-N
XLogP0.52
TPSA173.26 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 50.52
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze oxalic acid;bis(7-thia-2-azaspiro[3.5]nonane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxalic acid;bis(7-thia-2-azaspiro[3.5]nonane)?
The IUPAC name of oxalic acid;bis(7-thia-2-azaspiro[3.5]nonane) (CID 175688173) is oxalic acid;bis(7-thia-2-azaspiro[3.5]nonane).
What is the SMILES notation for oxalic acid;bis(7-thia-2-azaspiro[3.5]nonane)?
The canonical SMILES for oxalic acid;bis(7-thia-2-azaspiro[3.5]nonane) is C1CC2(CCS1)CNC2.C1CC2(CCS1)CNC2.O=C(O)C(=O)O.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;bis(7-thia-2-azaspiro[3.5]nonane)?
The InChIKey is GIWAZSFEHWDHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13NS.2C2H2O4/c2*1-3-9-4-2-7(1)5-8-6-7;2*3-1(4)2(5)6/h2*8H,1-6H2;2*(H,3,4)(H,5,6).
What are the key properties of oxalic acid;bis(7-thia-2-azaspiro[3.5]nonane)?
oxalic acid;bis(7-thia-2-azaspiro[3.5]nonane) has a molecular weight of 466.58 g/mol, XLogP of 0.52, 0 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;bis(7-thia-2-azaspiro[3.5]nonane) is sourced from PubChem (CID 175688173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).