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

C9H17NO2S — CID 162763625

IUPAC1-ethyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
SMILESCCN1CCC12CCS(=O)(=O)CC2
InChIInChI=1S/C9H17NO2S/c1-2-10-6-3-9(10)4-7-13(11,12)8-5-9/h2-8H2,1H3
InChIKeyNVYQGFBTYPXFKZ-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.66
Rot. Bonds1

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

1-ethyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide (PubChem CID 162763625) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-ethyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide.

Molecular Properties

Compound Name1-ethyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
PubChem CID162763625
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1-ethyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide
SMILESCCN1CCC12CCS(=O)(=O)CC2
InChIInChI=1S/C9H17NO2S/c1-2-10-6-3-9(10)4-7-13(11,12)8-5-9/h2-8H2,1H3
InChIKeyNVYQGFBTYPXFKZ-UHFFFAOYSA-N
XLogP0.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Fluoro-4-propan-2-ylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
CID 178125166
3-(3-Fluoro-4-methylpiperidin-1-yl)-3-methylthietane 1,1-dioxide
CID 178125547
2,2-Dimethyl-3-piperidin-1-ylthietane 1,1-dioxide
CID 284318
N-(cyclobutylmethyl)-N-methyl-1,1-dioxothian-4-amine
CID 71861030
4-(Cyclobutylmethyl)-2,3-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71869605
4-(Ethylsulfonylmethyl)-1-propan-2-ylpiperidine
CID 57709506
4-(3-Propan-2-ylazetidin-1-yl)thiane 1,1-dioxide
CID 58054364
1-Tert-butyl-4-methylsulfonylpiperidine
CID 59468987
1-Tert-butyl-4-(methylsulfonylmethyl)piperidine
CID 59468988
1-Tert-butyl-4-tert-butylsulfonylpiperidine
CID 59522770
1-Tert-butyl-3-methylsulfonylpiperidine
CID 59640673
4-(3-Methylazetidin-1-yl)thiane 1,1-dioxide
CID 68044455

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide?
The IUPAC name of 1-ethyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide (CID 162763625) is 1-ethyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide.
What is the SMILES notation for 1-ethyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide?
The canonical SMILES for 1-ethyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide is CCN1CCC12CCS(=O)(=O)CC2.
What is the InChIKey of 1-ethyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide?
The InChIKey is NVYQGFBTYPXFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-2-10-6-3-9(10)4-7-13(11,12)8-5-9/h2-8H2,1H3.
What are the key properties of 1-ethyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide?
1-ethyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide has a molecular weight of 203.31 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7λ6-thia-1-azaspiro[3.5]nonane 7,7-dioxide is sourced from PubChem (CID 162763625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).