8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane

C24H32N2O5S2 — CID 5171173

IUPAC8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC2(CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1
InChIInChI=1S/C24H32N2O5S2/c1-18-5-7-20(3)22(15-18)32(27,28)25-12-9-24(10-13-25)11-14-26(17-24)33(29,30)23-16-19(2)6-8-21(23)31-4/h5-8,15-16H,9-14,17H2,1-4H3
InChIKeyQYCBZMDWGQLXFB-UHFFFAOYSA-N
MW492.66 g/mol
LogP3.49
Rot. Bonds5

About 8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane

8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 5171173) has the molecular formula C24H32N2O5S2 and a molecular weight of 492.66 g/mol. Its IUPAC name is 8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
PubChem CID5171173
Molecular FormulaC24H32N2O5S2
Molecular Weight492.66 g/mol
Exact Mass492.18
IUPAC Name8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC2(CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1
InChIInChI=1S/C24H32N2O5S2/c1-18-5-7-20(3)22(15-18)32(27,28)25-12-9-24(10-13-25)11-14-26(17-24)33(29,30)23-16-19(2)6-8-21(23)31-4/h5-8,15-16H,9-14,17H2,1-4H3
InChIKeyQYCBZMDWGQLXFB-UHFFFAOYSA-N
XLogP3.49
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
9-(2-methoxy-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510529
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471
1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81104027
3,3-difluoro-1-(2-methoxy-5-methylphenyl)sulfonylazetidine
CID 167493621
1-(2,5-dimethylphenyl)sulfonyl-4,4-difluoropiperidine
CID 139027359
2-(2-methoxy-5-methylphenyl)sulfonyl-7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonane
CID 71789655
4-(2-methoxy-5-methylphenyl)sulfonylpiperazine-2,6-dione
CID 66085376
1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazine
CID 9037096
methyl 4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818496
1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium
CID 9037095
1'-(2-methoxy-5-methylphenyl)sulfonyl-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108781825

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane (CID 5171173) is 8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane is COc1ccc(C)cc1S(=O)(=O)N1CCC2(CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1.
What is the InChIKey of 8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
The InChIKey is QYCBZMDWGQLXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5S2/c1-18-5-7-20(3)22(15-18)32(27,28)25-12-9-24(10-13-25)11-14-26(17-24)33(29,30)23-16-19(2)6-8-21(23)31-4/h5-8,15-16H,9-14,17H2,1-4H3.
What are the key properties of 8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane?
8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 492.66 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethylphenyl)sulfonyl-2-(2-methoxy-5-methylphenyl)sulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 5171173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).