CID 19390484

H3NO5S2 — CID 19390484

IUPAC—
SMILESNS(=O)(=O)S(=O)(=O)O
InChIInChI=1S/H3NO5S2/c1-7(2,3)8(4,5)6/h(H2,1,2,3)(H,4,5,6)
InChIKeyUYSRSLSTXYYNEW-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.92
Rot. Bonds1

About CID 19390484

CID 19390484 (PubChem CID 19390484) has the molecular formula H3NO5S2 and a molecular weight of 161.16 g/mol.

Molecular Properties

Compound NameCID 19390484
PubChem CID19390484
Molecular FormulaH3NO5S2
Molecular Weight161.16 g/mol
Exact Mass160.95
IUPAC Name—
SMILESNS(=O)(=O)S(=O)(=O)O
InChIInChI=1S/H3NO5S2/c1-7(2,3)8(4,5)6/h(H2,1,2,3)(H,4,5,6)
InChIKeyUYSRSLSTXYYNEW-UHFFFAOYSA-N
XLogP-1.92
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 19390484?
The IUPAC name of CID 19390484 (CID 19390484) is not available.
What is the SMILES notation for CID 19390484?
The canonical SMILES for CID 19390484 is NS(=O)(=O)S(=O)(=O)O.
What is the InChIKey of CID 19390484?
The InChIKey is UYSRSLSTXYYNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/H3NO5S2/c1-7(2,3)8(4,5)6/h(H2,1,2,3)(H,4,5,6).
What are the key properties of CID 19390484?
CID 19390484 has a molecular weight of 161.16 g/mol, XLogP of -1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19390484 is sourced from PubChem (CID 19390484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).