CID 149433385

H4N6O8S3 — CID 149433385

IUPAC—
SMILES[N-]=[N+]=NN(N(NS(=O)(=O)O)S(=O)(=O)O)S(=O)O
InChIInChI=1S/H4N6O8S3/c1-2-3-5(15(7)8)6(17(12,13)14)4-16(9,10)11/h4H,(H,7,8)(H,9,10,11)(H,12,13,14)
InChIKeyNFAXPQUUABODPO-UHFFFAOYSA-N
MW312.27 g/mol
LogP-2.02
Rot. Bonds6

About CID 149433385

CID 149433385 (PubChem CID 149433385) has the molecular formula H4N6O8S3 and a molecular weight of 312.27 g/mol.

Molecular Properties

Compound NameCID 149433385
PubChem CID149433385
Molecular FormulaH4N6O8S3
Molecular Weight312.27 g/mol
Exact Mass311.93
IUPAC Name—
SMILES[N-]=[N+]=NN(N(NS(=O)(=O)O)S(=O)(=O)O)S(=O)O
InChIInChI=1S/H4N6O8S3/c1-2-3-5(15(7)8)6(17(12,13)14)4-16(9,10)11/h4H,(H,7,8)(H,9,10,11)(H,12,13,14)
InChIKeyNFAXPQUUABODPO-UHFFFAOYSA-N
XLogP-2.02
TPSA213.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 149433385?
The IUPAC name of CID 149433385 (CID 149433385) is not available.
What is the SMILES notation for CID 149433385?
The canonical SMILES for CID 149433385 is [N-]=[N+]=NN(N(NS(=O)(=O)O)S(=O)(=O)O)S(=O)O.
What is the InChIKey of CID 149433385?
The InChIKey is NFAXPQUUABODPO-UHFFFAOYSA-N. The full InChI is InChI=1S/H4N6O8S3/c1-2-3-5(15(7)8)6(17(12,13)14)4-16(9,10)11/h4H,(H,7,8)(H,9,10,11)(H,12,13,14).
What are the key properties of CID 149433385?
CID 149433385 has a molecular weight of 312.27 g/mol, XLogP of -2.02, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 149433385 is sourced from PubChem (CID 149433385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).