1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H25N3O7S — CID 27377681

IUPAC1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c(OC)c1OC
InChIInChI=1S/C18H25N3O7S/c1-19-16(22)18(20(2)17(19)23)8-10-21(11-9-18)29(24,25)13-7-6-12(26-3)14(27-4)15(13)28-5/h6-7H,8-11H2,1-5H3
InChIKeyXWYODFBORAKVCW-UHFFFAOYSA-N
MW427.48 g/mol
LogP0.76
Rot. Bonds5

About 1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 27377681) has the molecular formula C18H25N3O7S and a molecular weight of 427.48 g/mol. Its IUPAC name is 1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID27377681
Molecular FormulaC18H25N3O7S
Molecular Weight427.48 g/mol
Exact Mass427.14
IUPAC Name1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c(OC)c1OC
InChIInChI=1S/C18H25N3O7S/c1-19-16(22)18(20(2)17(19)23)8-10-21(11-9-18)29(24,25)13-7-6-12(26-3)14(27-4)15(13)28-5/h6-7H,8-11H2,1-5H3
InChIKeyXWYODFBORAKVCW-UHFFFAOYSA-N
XLogP0.76
TPSA105.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-6-[4-(2,3,4-trimethoxyphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 50947976
N-(3-carbamoyl-4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 74234628
1-(4-methoxy-2,3-dimethylphenyl)sulfonylazepane
CID 6472720
1-(2,4-dimethoxy-3-methylphenyl)sulfonyl-4-ethylpiperazine
CID 110758690
4-(2,4-dimethoxy-3-methylphenyl)sulfonylpiperazine-1-carbaldehyde
CID 110758691
8-(3,4-dimethoxyphenyl)sulfonyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16826034
1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166054973
1-(2-chlorophenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
CID 1296699
1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922390
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
N-hydroxy-2,3-dimethoxy-6-piperazin-1-ylsulfonylbenzamide
CID 20626166
1-(3,4-dimethylphenyl)-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
CID 100671510

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 27377681) is 1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c(OC)c1OC.
What is the InChIKey of 1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is XWYODFBORAKVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O7S/c1-19-16(22)18(20(2)17(19)23)8-10-21(11-9-18)29(24,25)13-7-6-12(26-3)14(27-4)15(13)28-5/h6-7H,8-11H2,1-5H3.
What are the key properties of 1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 427.48 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-(2,3,4-trimethoxyphenyl)sulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 27377681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).