2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane

C15H22N2O2S — CID 3234950

IUPAC2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CC1)CN(Cc1ccccc1)C2
InChIInChI=1S/C15H22N2O2S/c1-20(18,19)17-9-7-15(8-10-17)12-16(13-15)11-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyIISLMSPPNPVBDY-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.54
Rot. Bonds3

About 2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane

2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane (PubChem CID 3234950) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane
PubChem CID3234950
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CC1)CN(Cc1ccccc1)C2
InChIInChI=1S/C15H22N2O2S/c1-20(18,19)17-9-7-15(8-10-17)12-16(13-15)11-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3
InChIKeyIISLMSPPNPVBDY-UHFFFAOYSA-N
XLogP1.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane (CID 3234950) is 2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane is CS(=O)(=O)N1CCC2(CC1)CN(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is IISLMSPPNPVBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-20(18,19)17-9-7-15(8-10-17)12-16(13-15)11-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3.
What are the key properties of 2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 294.42 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-methylsulfonyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 3234950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).