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

C14H20N2O2S — CID 3234678

IUPAC7-methylsulfonyl-2-phenyl-2,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CC1)CN(c1ccccc1)C2
InChIInChI=1S/C14H20N2O2S/c1-19(17,18)16-9-7-14(8-10-16)11-15(12-14)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeySKQACBPXFNKMNG-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.55
Rot. Bonds2

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

7-methylsulfonyl-2-phenyl-2,7-diazaspiro[3.5]nonane (PubChem CID 3234678) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 7-methylsulfonyl-2-phenyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methylsulfonyl-2-phenyl-2,7-diazaspiro[3.5]nonane
PubChem CID3234678
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name7-methylsulfonyl-2-phenyl-2,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CC1)CN(c1ccccc1)C2
InChIInChI=1S/C14H20N2O2S/c1-19(17,18)16-9-7-14(8-10-16)11-15(12-14)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3
InChIKeySKQACBPXFNKMNG-UHFFFAOYSA-N
XLogP1.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-2-phenyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-methylsulfonyl-2-phenyl-2,7-diazaspiro[3.5]nonane (CID 3234678) is 7-methylsulfonyl-2-phenyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-methylsulfonyl-2-phenyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-methylsulfonyl-2-phenyl-2,7-diazaspiro[3.5]nonane is CS(=O)(=O)N1CCC2(CC1)CN(c1ccccc1)C2.
What is the InChIKey of 7-methylsulfonyl-2-phenyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is SKQACBPXFNKMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-19(17,18)16-9-7-14(8-10-16)11-15(12-14)13-5-3-2-4-6-13/h2-6H,7-12H2,1H3.
What are the key properties of 7-methylsulfonyl-2-phenyl-2,7-diazaspiro[3.5]nonane?
7-methylsulfonyl-2-phenyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 280.39 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-2-phenyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 3234678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).