8-methylsulfinyl-5,8-diazaspiro[3.5]nonane

C8H16N2OS — CID 163234580

IUPAC8-methylsulfinyl-5,8-diazaspiro[3.5]nonane
SMILESCS(=O)N1CCNC2(CCC2)C1
InChIInChI=1S/C8H16N2OS/c1-12(11)10-6-5-9-8(7-10)3-2-4-8/h9H,2-7H2,1H3
InChIKeyZOQKPXKGIKEPPE-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.11
Rot. Bonds1

About 8-methylsulfinyl-5,8-diazaspiro[3.5]nonane

8-methylsulfinyl-5,8-diazaspiro[3.5]nonane (PubChem CID 163234580) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 8-methylsulfinyl-5,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name8-methylsulfinyl-5,8-diazaspiro[3.5]nonane
PubChem CID163234580
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name8-methylsulfinyl-5,8-diazaspiro[3.5]nonane
SMILESCS(=O)N1CCNC2(CCC2)C1
InChIInChI=1S/C8H16N2OS/c1-12(11)10-6-5-9-8(7-10)3-2-4-8/h9H,2-7H2,1H3
InChIKeyZOQKPXKGIKEPPE-UHFFFAOYSA-N
XLogP0.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-tert-butyl-5,8-diazaspiro[3.5]nonane
CID 137435570
9-(3-methylbutan-2-yl)-6,9-diazaspiro[4.5]decane
CID 64923852
(4S)-8-methyl-1,8-diazaspiro[3.5]nonane
CID 96839656
4-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64833666
10-tert-butyl-6,10-diazaspiro[4.6]undecane
CID 64941317
9-(1-methylcyclohexyl)-6,9-diazaspiro[4.5]decane
CID 64954342
molecular hydrogen;8-propan-2-yl-1,8-diazaspiro[3.5]nonane
CID 170571753
4,7-diazaspiro[2.5]octane-7-carboxylic acid
CID 89157543
ethane;9-methyl-1,9-diazaspiro[4.5]decane
CID 166075508
ethane;9-methyl-1,9-diazaspiro[3.6]decane
CID 170572198
(5S)-10-methyl-1,10-diazaspiro[4.6]undecane
CID 96850341
4-(2-methoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 64834277

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfinyl-5,8-diazaspiro[3.5]nonane?
The IUPAC name of 8-methylsulfinyl-5,8-diazaspiro[3.5]nonane (CID 163234580) is 8-methylsulfinyl-5,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 8-methylsulfinyl-5,8-diazaspiro[3.5]nonane?
The canonical SMILES for 8-methylsulfinyl-5,8-diazaspiro[3.5]nonane is CS(=O)N1CCNC2(CCC2)C1.
What is the InChIKey of 8-methylsulfinyl-5,8-diazaspiro[3.5]nonane?
The InChIKey is ZOQKPXKGIKEPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-12(11)10-6-5-9-8(7-10)3-2-4-8/h9H,2-7H2,1H3.
What are the key properties of 8-methylsulfinyl-5,8-diazaspiro[3.5]nonane?
8-methylsulfinyl-5,8-diazaspiro[3.5]nonane has a molecular weight of 188.30 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfinyl-5,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 163234580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).