7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide

C10H15NO2S — CID 123490073

IUPAC7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide
SMILESC=CC(=C)N1CCS(=O)(=O)C2(CC2)C1
InChIInChI=1S/C10H15NO2S/c1-3-9(2)11-6-7-14(12,13)10(8-11)4-5-10/h3H,1-2,4-8H2
InChIKeyLRCQVCMMUNJJFE-UHFFFAOYSA-N
MW213.30 g/mol
LogP0.95
Rot. Bonds2

About 7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide

7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide (PubChem CID 123490073) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide.

Molecular Properties

Compound Name7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide
PubChem CID123490073
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide
SMILESC=CC(=C)N1CCS(=O)(=O)C2(CC2)C1
InChIInChI=1S/C10H15NO2S/c1-3-9(2)11-6-7-14(12,13)10(8-11)4-5-10/h3H,1-2,4-8H2
InChIKeyLRCQVCMMUNJJFE-UHFFFAOYSA-N
XLogP0.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Buta-1,3-dien-2-yl-1,4-thiazinane 1,1-dioxide
CID 123468682

Frequently Asked Questions

What is the IUPAC name of 7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide?
The IUPAC name of 7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide (CID 123490073) is 7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide.
What is the SMILES notation for 7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide?
The canonical SMILES for 7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide is C=CC(=C)N1CCS(=O)(=O)C2(CC2)C1.
What is the InChIKey of 7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide?
The InChIKey is LRCQVCMMUNJJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-9(2)11-6-7-14(12,13)10(8-11)4-5-10/h3H,1-2,4-8H2.
What are the key properties of 7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide?
7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide has a molecular weight of 213.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-buta-1,3-dien-2-yl-4λ6-thia-7-azaspiro[2.5]octane 4,4-dioxide is sourced from PubChem (CID 123490073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).