9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane

C10H17NO4S — CID 167770494

IUPAC9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESC=CS(=O)(=O)N1CCOC2(CCOC2C)C1
InChIInChI=1S/C10H17NO4S/c1-3-16(12,13)11-5-7-15-10(8-11)4-6-14-9(10)2/h3,9H,1,4-8H2,2H3
InChIKeyNVSXRVCMQBZIJE-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.34
Rot. Bonds2

About 9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane

9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 167770494) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID167770494
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESC=CS(=O)(=O)N1CCOC2(CCOC2C)C1
InChIInChI=1S/C10H17NO4S/c1-3-16(12,13)11-5-7-15-10(8-11)4-6-14-9(10)2/h3,9H,1,4-8H2,2H3
InChIKeyNVSXRVCMQBZIJE-UHFFFAOYSA-N
XLogP0.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane (CID 167770494) is 9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane is C=CS(=O)(=O)N1CCOC2(CCOC2C)C1.
What is the InChIKey of 9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is NVSXRVCMQBZIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-3-16(12,13)11-5-7-15-10(8-11)4-6-14-9(10)2/h3,9H,1,4-8H2,2H3.
What are the key properties of 9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 247.32 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenylsulfonyl-1-methyl-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 167770494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).