2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C18H28N2O3S — CID 91910507

IUPAC2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCCc1ccc(S(=O)(=O)N2CC(COC)C3(CCNCC3)C2)cc1
InChIInChI=1S/C18H28N2O3S/c1-3-15-4-6-17(7-5-15)24(21,22)20-12-16(13-23-2)18(14-20)8-10-19-11-9-18/h4-7,16,19H,3,8-14H2,1-2H3
InChIKeyBQOQOQNCCZVUID-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.89
Rot. Bonds5

About 2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91910507) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91910507
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCCc1ccc(S(=O)(=O)N2CC(COC)C3(CCNCC3)C2)cc1
InChIInChI=1S/C18H28N2O3S/c1-3-15-4-6-17(7-5-15)24(21,22)20-12-16(13-23-2)18(14-20)8-10-19-11-9-18/h4-7,16,19H,3,8-14H2,1-2H3
InChIKeyBQOQOQNCCZVUID-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91910507) is 2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is CCc1ccc(S(=O)(=O)N2CC(COC)C3(CCNCC3)C2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is BQOQOQNCCZVUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-3-15-4-6-17(7-5-15)24(21,22)20-12-16(13-23-2)18(14-20)8-10-19-11-9-18/h4-7,16,19H,3,8-14H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 352.50 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)sulfonyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91910507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).