1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide

C8H15NO2S — CID 174279716

IUPAC1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
SMILESCN1CCC12CCS(=O)(=O)CC2
InChIInChI=1S/C8H15NO2S/c1-9-5-2-8(9)3-6-12(10,11)7-4-8/h2-7H2,1H3
InChIKeyDLXLWFIPYQJPGZ-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.27
Rot. Bonds

About 1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide

1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide (PubChem CID 174279716) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide.

Molecular Properties

Compound Name1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
PubChem CID174279716
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
SMILESCN1CCC12CCS(=O)(=O)CC2
InChIInChI=1S/C8H15NO2S/c1-9-5-2-8(9)3-6-12(10,11)7-4-8/h2-7H2,1H3
InChIKeyDLXLWFIPYQJPGZ-UHFFFAOYSA-N
XLogP0.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
CID 178125547
7-Thia-1-azaspiro[3.5]nonane 7,7-dioxide
CID 65805077
2,2-Dimethyl-3-piperidin-1-ylthietane 1,1-dioxide
CID 284318
4-(3-Propan-2-ylazetidin-1-yl)thiane 1,1-dioxide
CID 58054364
1-Tert-butyl-4-(methylsulfonylmethyl)piperidine
CID 59468988
1-Tert-butyl-4-tert-butylsulfonylpiperidine
CID 59522770
1-Tert-butyl-4-methyl-4-methylsulfonylpiperidine
CID 90205885
2-Methyl-7lambda6-thia-2-azaspiro[3.5]nonane 7,7-dioxide
CID 123525091
1-(2-Methylbutan-2-yl)-4-methylsulfonylpiperidine
CID 155455556
1-Methyl-7lambda4-thia-1-azaspiro[3.5]nonane 7-oxide
CID 156736357
1-Propan-2-yl-7lambda6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
CID 159419663
1-Tert-butyl-4-(ethylsulfonylmethyl)piperidine
CID 162210071

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide?
The IUPAC name of 1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide (CID 174279716) is 1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide.
What is the SMILES notation for 1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide?
The canonical SMILES for 1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide is CN1CCC12CCS(=O)(=O)CC2.
What is the InChIKey of 1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide?
The InChIKey is DLXLWFIPYQJPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-9-5-2-8(9)3-6-12(10,11)7-4-8/h2-7H2,1H3.
What are the key properties of 1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide?
1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide has a molecular weight of 189.28 g/mol, XLogP of 0.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide is sourced from PubChem (CID 174279716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).