CID 151090651

HN5O4S2 — CID 151090651

IUPAC—
SMILES[N-]=[N+]=NNS(=O)(=O)N=S(=O)=O
InChIInChI=1S/HN5O4S2/c1-2-3-4-11(8,9)5-10(6)7/h4H
InChIKeyMMAYMULZXNDRNF-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.89
Rot. Bonds3

About CID 151090651

CID 151090651 (PubChem CID 151090651) has the molecular formula HN5O4S2 and a molecular weight of 199.17 g/mol.

Molecular Properties

Compound NameCID 151090651
PubChem CID151090651
Molecular FormulaHN5O4S2
Molecular Weight199.17 g/mol
Exact Mass198.95
IUPAC Name—
SMILES[N-]=[N+]=NNS(=O)(=O)N=S(=O)=O
InChIInChI=1S/HN5O4S2/c1-2-3-4-11(8,9)5-10(6)7/h4H
InChIKeyMMAYMULZXNDRNF-UHFFFAOYSA-N
XLogP-0.89
TPSA141.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 151090651?
The IUPAC name of CID 151090651 (CID 151090651) is not available.
What is the SMILES notation for CID 151090651?
The canonical SMILES for CID 151090651 is [N-]=[N+]=NNS(=O)(=O)N=S(=O)=O.
What is the InChIKey of CID 151090651?
The InChIKey is MMAYMULZXNDRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/HN5O4S2/c1-2-3-4-11(8,9)5-10(6)7/h4H.
What are the key properties of CID 151090651?
CID 151090651 has a molecular weight of 199.17 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151090651 is sourced from PubChem (CID 151090651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).