9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

C17H25NO5S — CID 71684334

IUPAC9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C17H25NO5S/c1-13-11-15(21-3)16(12-14(13)2)24(19,20)18-7-5-17(6-8-18)22-9-4-10-23-17/h11-12H,4-10H2,1-3H3
InChIKeyYUJDPYUYHGMSLH-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.23
Rot. Bonds3

About 9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 71684334) has the molecular formula C17H25NO5S and a molecular weight of 355.46 g/mol. Its IUPAC name is 9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID71684334
Molecular FormulaC17H25NO5S
Molecular Weight355.46 g/mol
Exact Mass355.15
IUPAC Name9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C17H25NO5S/c1-13-11-15(21-3)16(12-14(13)2)24(19,20)18-7-5-17(6-8-18)22-9-4-10-23-17/h11-12H,4-10H2,1-3H3
InChIKeyYUJDPYUYHGMSLH-UHFFFAOYSA-N
XLogP2.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane 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 9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane (CID 71684334) is 9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane is COc1cc(C)c(C)cc1S(=O)(=O)N1CCC2(CC1)OCCCO2.
What is the InChIKey of 9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is YUJDPYUYHGMSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5S/c1-13-11-15(21-3)16(12-14(13)2)24(19,20)18-7-5-17(6-8-18)22-9-4-10-23-17/h11-12H,4-10H2,1-3H3.
What are the key properties of 9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 355.46 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxy-4,5-dimethylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 71684334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).