N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine

C7H7NO3S2 — CID 1477162

IUPACN-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine
SMILESO=S1(=O)CCC(=NO)c2ccsc21
InChIInChI=1S/C7H7NO3S2/c9-8-6-2-4-13(10,11)7-5(6)1-3-12-7/h1,3,9H,2,4H2
InChIKeyKXOYVFLDMXQWAI-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.10
Rot. Bonds

About N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine

N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine (PubChem CID 1477162) has the molecular formula C7H7NO3S2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine
PubChem CID1477162
Molecular FormulaC7H7NO3S2
Molecular Weight217.27 g/mol
Exact Mass216.99
IUPAC NameN-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine
SMILESO=S1(=O)CCC(=NO)c2ccsc21
InChIInChI=1S/C7H7NO3S2/c9-8-6-2-4-13(10,11)7-5(6)1-3-12-7/h1,3,9H,2,4H2
InChIKeyKXOYVFLDMXQWAI-UHFFFAOYSA-N
XLogP1.10
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine 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 N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine?
The IUPAC name of N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine (CID 1477162) is N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine?
The canonical SMILES for N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine is O=S1(=O)CCC(=NO)c2ccsc21.
What is the InChIKey of N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine?
The InChIKey is KXOYVFLDMXQWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3S2/c9-8-6-2-4-13(10,11)7-5(6)1-3-12-7/h1,3,9H,2,4H2.
What are the key properties of N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine?
N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine has a molecular weight of 217.27 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)hydroxylamine is sourced from PubChem (CID 1477162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).