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

C8H16N2O2S — CID 73013724

IUPAC7-methylsulfonyl-2,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CC1)CNC2
InChIInChI=1S/C8H16N2O2S/c1-13(11,12)10-4-2-8(3-5-10)6-9-7-8/h9H,2-7H2,1H3
InChIKeyWRWIKWVLSYLALU-UHFFFAOYSA-N
MW204.29 g/mol
LogP-0.37
Rot. Bonds1

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

7-methylsulfonyl-2,7-diazaspiro[3.5]nonane (PubChem CID 73013724) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methylsulfonyl-2,7-diazaspiro[3.5]nonane
PubChem CID73013724
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name7-methylsulfonyl-2,7-diazaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CC1)CNC2
InChIInChI=1S/C8H16N2O2S/c1-13(11,12)10-4-2-8(3-5-10)6-9-7-8/h9H,2-7H2,1H3
InChIKeyWRWIKWVLSYLALU-UHFFFAOYSA-N
XLogP-0.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane (CID 73013724) is 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane is CS(=O)(=O)N1CCC2(CC1)CNC2.
What is the InChIKey of 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is WRWIKWVLSYLALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-13(11,12)10-4-2-8(3-5-10)6-9-7-8/h9H,2-7H2,1H3.
What are the key properties of 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane?
7-methylsulfonyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 204.29 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 73013724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).