7-methylsulfonyl-7-azaspiro[3.5]nonane

C9H17NO2S — CID 126998846

IUPAC7-methylsulfonyl-7-azaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CCC2)CC1
InChIInChI=1S/C9H17NO2S/c1-13(11,12)10-7-5-9(6-8-10)3-2-4-9/h2-8H2,1H3
InChIKeyNVNAGOQWWXWEGB-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.21
Rot. Bonds1

About 7-methylsulfonyl-7-azaspiro[3.5]nonane

7-methylsulfonyl-7-azaspiro[3.5]nonane (PubChem CID 126998846) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 7-methylsulfonyl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methylsulfonyl-7-azaspiro[3.5]nonane
PubChem CID126998846
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name7-methylsulfonyl-7-azaspiro[3.5]nonane
SMILESCS(=O)(=O)N1CCC2(CCC2)CC1
InChIInChI=1S/C9H17NO2S/c1-13(11,12)10-7-5-9(6-8-10)3-2-4-9/h2-8H2,1H3
InChIKeyNVNAGOQWWXWEGB-UHFFFAOYSA-N
XLogP1.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-azaspiro[3.5]nonan-7-yl-ethyl-imino-oxo-λ6-sulfane
CID 164656017
9-methyl-2-methylsulfonyl-2,9-diazaspiro[5.5]undecane
CID 166713434
6-propan-2-ylsulfonyl-6-azaspiro[3.4]octane
CID 130815616
7-methyl-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 145315592
2-(4-hydroxy-1-methylsulfonylpiperidin-4-yl)acetaldehyde
CID 118435774
(4-methyl-1-methylsulfonylpiperidin-4-yl)methanol
CID 58959839
4-(hydroxymethyl)-1-methylsulfonylpiperidin-4-ol
CID 130490728
7-methylsulfonyl-2-thia-7-azaspiro[4.4]nonane
CID 12691872
4-methyl-1-methylsulfonyl-4-(trifluoromethyl)azepane
CID 91434914
1-(7-methylsulfonyl-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 155872480
3-methylsulfonyl-7,8,20,21-tetraoxa-3-azaspiro[5.15]henicosane
CID 143649771
3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane
CID 58435995

Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-7-azaspiro[3.5]nonane?
The IUPAC name of 7-methylsulfonyl-7-azaspiro[3.5]nonane (CID 126998846) is 7-methylsulfonyl-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-methylsulfonyl-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-methylsulfonyl-7-azaspiro[3.5]nonane is CS(=O)(=O)N1CCC2(CCC2)CC1.
What is the InChIKey of 7-methylsulfonyl-7-azaspiro[3.5]nonane?
The InChIKey is NVNAGOQWWXWEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-13(11,12)10-7-5-9(6-8-10)3-2-4-9/h2-8H2,1H3.
What are the key properties of 7-methylsulfonyl-7-azaspiro[3.5]nonane?
7-methylsulfonyl-7-azaspiro[3.5]nonane has a molecular weight of 203.31 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 126998846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).