2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane

C16H23NO5S — CID 71789655

IUPAC2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C16H23NO5S/c1-12-5-6-13(20-4)14(7-12)23(18,19)17-8-16(9-17)10-21-15(2,3)22-11-16/h5-7H,8-11H2,1-4H3
InChIKeyIEERRCXXCJEYNI-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.78
Rot. Bonds3

About 2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane

2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane (PubChem CID 71789655) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
PubChem CID71789655
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Name2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C16H23NO5S/c1-12-5-6-13(20-4)14(7-12)23(18,19)17-8-16(9-17)10-21-15(2,3)22-11-16/h5-7H,8-11H2,1-4H3
InChIKeyIEERRCXXCJEYNI-UHFFFAOYSA-N
XLogP1.78
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane with MolForge

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Related Compounds

2-(2,5-dimethoxyphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 90537501
3,3-difluoro-1-(2-methoxy-5-methylphenyl)sulfonylazetidine
CID 167493621
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
CID 66085376
8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
CID 5171173
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
9-(2-methoxy-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510529
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
3-ethylsulfonyl-1-(2-methoxy-5-methylphenyl)sulfonylazetidine
CID 121164660
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
1-(2-methoxy-5-methylphenyl)sulfonyl-1,4-diazepane-2,5-dione
CID 151664784
1-[(2-methoxy-5-methylphenyl)methyl]-4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-ium
CID 9191483

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane (CID 71789655) is 2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane is COc1ccc(C)cc1S(=O)(=O)N1CC2(COC(C)(C)OC2)C1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
The InChIKey is IEERRCXXCJEYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-12-5-6-13(20-4)14(7-12)23(18,19)17-8-16(9-17)10-21-15(2,3)22-11-16/h5-7H,8-11H2,1-4H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane?
2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane has a molecular weight of 341.43 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 71789655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).