1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene

C10H17NO2S — CID 13298487

IUPAC1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene
SMILESCS(=O)(=O)N1CCCC12CC=CCC2
InChIInChI=1S/C10H17NO2S/c1-14(12,13)11-9-5-8-10(11)6-3-2-4-7-10/h2-3H,4-9H2,1H3
InChIKeyQSCPPNKQSDFUCL-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.52
Rot. Bonds1

About 1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene

1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene (PubChem CID 13298487) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene
PubChem CID13298487
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene
SMILESCS(=O)(=O)N1CCCC12CC=CCC2
InChIInChI=1S/C10H17NO2S/c1-14(12,13)11-9-5-8-10(11)6-3-2-4-7-10/h2-3H,4-9H2,1H3
InChIKeyQSCPPNKQSDFUCL-UHFFFAOYSA-N
XLogP1.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene?
The IUPAC name of 1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene (CID 13298487) is 1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene.
What is the SMILES notation for 1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene?
The canonical SMILES for 1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene is CS(=O)(=O)N1CCCC12CC=CCC2.
What is the InChIKey of 1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene?
The InChIKey is QSCPPNKQSDFUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-14(12,13)11-9-5-8-10(11)6-3-2-4-7-10/h2-3H,4-9H2,1H3.
What are the key properties of 1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene?
1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene has a molecular weight of 215.32 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-1-azaspiro[4.5]dec-7-ene is sourced from PubChem (CID 13298487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).