4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

C23H30N2O5S2 — CID 16803306

IUPAC4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC3)cc1
InChIInChI=1S/C23H30N2O5S2/c1-17-5-7-21(8-6-17)31(26,27)25-13-14-30-23(25)9-11-24(12-10-23)32(28,29)22-19(3)15-18(2)16-20(22)4/h5-8,15-16H,9-14H2,1-4H3
InChIKeyDDNVYBVKLPJMEO-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.12
Rot. Bonds4

About 4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane

4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 16803306) has the molecular formula C23H30N2O5S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID16803306
Molecular FormulaC23H30N2O5S2
Molecular Weight478.64 g/mol
Exact Mass478.16
IUPAC Name4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC3)cc1
InChIInChI=1S/C23H30N2O5S2/c1-17-5-7-21(8-6-17)31(26,27)25-13-14-30-23(25)9-11-24(12-10-23)32(28,29)22-19(3)15-18(2)16-20(22)4/h5-8,15-16H,9-14H2,1-4H3
InChIKeyDDNVYBVKLPJMEO-UHFFFAOYSA-N
XLogP3.12
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane (CID 16803306) is 4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is Cc1ccc(S(=O)(=O)N2CCOC23CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC3)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is DDNVYBVKLPJMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S2/c1-17-5-7-21(8-6-17)31(26,27)25-13-14-30-23(25)9-11-24(12-10-23)32(28,29)22-19(3)15-18(2)16-20(22)4/h5-8,15-16H,9-14H2,1-4H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane?
4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 478.64 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-8-(2,4,6-trimethylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 16803306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).