7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane

C20H24N2O2S — CID 3233948

IUPAC7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CC1)CN(c1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C20H24N2O2S/c1-25(23,24)22-13-11-20(12-14-22)15-21(16-20)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
InChIKeyXNVYTGZYXUZZEN-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.22
Rot. Bonds3

About 7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane

7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane (PubChem CID 3233948) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane
PubChem CID3233948
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CC1)CN(c1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C20H24N2O2S/c1-25(23,24)22-13-11-20(12-14-22)15-21(16-20)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10H,11-16H2,1H3
InChIKeyXNVYTGZYXUZZEN-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane (CID 3233948) is 7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane is CS(=O)(=O)N1CCC2(CC1)CN(c1ccc(-c3ccccc3)cc1)C2.
What is the InChIKey of 7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is XNVYTGZYXUZZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-25(23,24)22-13-11-20(12-14-22)15-21(16-20)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10H,11-16H2,1H3.
What are the key properties of 7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane?
7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 356.49 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-2-(4-phenylphenyl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 3233948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).