7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane

C17H23NO4S — CID 71789665

IUPAC7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane
SMILESCc1ccc(/C=C/S(=O)(=O)N2CC3(COC(C)(C)OC3)C2)cc1
InChIInChI=1S/C17H23NO4S/c1-14-4-6-15(7-5-14)8-9-23(19,20)18-10-17(11-18)12-21-16(2,3)22-13-17/h4-9H,10-13H2,1-3H3/b9-8+
InChIKeyBIRYDQOBNXIHHL-CMDGGOBGSA-N
MW337.44 g/mol
LogP2.38
Rot. Bonds3

About 7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane

7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane (PubChem CID 71789665) has the molecular formula C17H23NO4S and a molecular weight of 337.44 g/mol. Its IUPAC name is 7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane
PubChem CID71789665
Molecular FormulaC17H23NO4S
Molecular Weight337.44 g/mol
Exact Mass337.13
IUPAC Name7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane
SMILESCc1ccc(/C=C/S(=O)(=O)N2CC3(COC(C)(C)OC3)C2)cc1
InChIInChI=1S/C17H23NO4S/c1-14-4-6-15(7-5-14)8-9-23(19,20)18-10-17(11-18)12-21-16(2,3)22-13-17/h4-9H,10-13H2,1-3H3/b9-8+
InChIKeyBIRYDQOBNXIHHL-CMDGGOBGSA-N
XLogP2.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 71789655
2-ethylsulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 90537488
4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-2-one
CID 47064565
(1R,5S)-8-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 95986010
2-(2,6-difluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 71789660
3-methyl-5-[1-[2-(4-methylphenyl)ethenylsulfonyl]azetidin-3-yl]-1,2,4-oxadiazole
CID 71960994
3-[1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylazetidin-3-yl]imidazolidine-2,4-dione
CID 121159635
2-(3-fluorophenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 90537520
1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene
CID 14929190
1-(2-phenylethenylsulfonyl)-3-propan-2-ylazetidin-3-ol
CID 77104171
1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-(triazol-1-yl)piperidine
CID 121151438
1-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 47068802

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The IUPAC name of 7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane (CID 71789665) is 7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane is Cc1ccc(/C=C/S(=O)(=O)N2CC3(COC(C)(C)OC3)C2)cc1.
What is the InChIKey of 7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The InChIKey is BIRYDQOBNXIHHL-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H23NO4S/c1-14-4-6-15(7-5-14)8-9-23(19,20)18-10-17(11-18)12-21-16(2,3)22-13-17/h4-9H,10-13H2,1-3H3/b9-8+.
What are the key properties of 7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane?
7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane has a molecular weight of 337.44 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-6,8-dioxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 71789665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).