8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H21N3O5S — CID 46972208

IUPAC8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1C
InChIInChI=1S/C16H21N3O5S/c1-10-9-13(11(2)8-12(10)24-3)25(22,23)19-6-4-16(5-7-19)14(20)17-15(21)18-16/h8-9H,4-7H2,1-3H3,(H2,17,18,20,21)
InChIKeySQFURTYAVCKJDK-UHFFFAOYSA-N
MW367.43 g/mol
LogP0.67
Rot. Bonds3

About 8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 46972208) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is 8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID46972208
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC Name8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1C
InChIInChI=1S/C16H21N3O5S/c1-10-9-13(11(2)8-12(10)24-3)25(22,23)19-6-4-16(5-7-19)14(20)17-15(21)18-16/h8-9H,4-7H2,1-3H3,(H2,17,18,20,21)
InChIKeySQFURTYAVCKJDK-UHFFFAOYSA-N
XLogP0.67
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 46972208) is 8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1cc(C)c(S(=O)(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1C.
What is the InChIKey of 8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is SQFURTYAVCKJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-10-9-13(11(2)8-12(10)24-3)25(22,23)19-6-4-16(5-7-19)14(20)17-15(21)18-16/h8-9H,4-7H2,1-3H3,(H2,17,18,20,21).
What are the key properties of 8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 367.43 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxy-2,5-dimethylphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 46972208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).