8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane

C17H25FN2O3S — CID 131639072

IUPAC8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane
SMILESCCOCC1CCN(C)C2(C1)CN(S(=O)(=O)c1cccc(F)c1)C2
InChIInChI=1S/C17H25FN2O3S/c1-3-23-11-14-7-8-19(2)17(10-14)12-20(13-17)24(21,22)16-6-4-5-15(18)9-16/h4-6,9,14H,3,7-8,10-13H2,1-2H3
InChIKeyKKVBVKAFQWTRBZ-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.95
Rot. Bonds5

About 8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane

8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane (PubChem CID 131639072) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane
PubChem CID131639072
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane
SMILESCCOCC1CCN(C)C2(C1)CN(S(=O)(=O)c1cccc(F)c1)C2
InChIInChI=1S/C17H25FN2O3S/c1-3-23-11-14-7-8-19(2)17(10-14)12-20(13-17)24(21,22)16-6-4-5-15(18)9-16/h4-6,9,14H,3,7-8,10-13H2,1-2H3
InChIKeyKKVBVKAFQWTRBZ-UHFFFAOYSA-N
XLogP1.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(ethoxymethyl)-5-methyl-2-(2-methylphenyl)sulfonyl-2,5-diazaspiro[3.5]nonane
CID 131677748
2-(2-chlorophenyl)sulfonyl-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 131677753
3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 110418161
(6S)-4-(3-fluorophenyl)sulfonyl-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97191765
8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-methyl-2-propylsulfonyl-2,5-diazaspiro[3.5]nonane
CID 131669233
(8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane
CID 124804203
[2-(3-chlorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.4]octan-7-yl]methanol
CID 131695551
2-[(3,5-dimethoxyphenyl)methyl]-8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonane
CID 131677402
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 63400843
8-(ethoxymethyl)-5-methyl-2-(thiophen-3-ylmethyl)-2,5-diazaspiro[3.5]nonane
CID 131678334
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
CID 3830927

Frequently Asked Questions

What is the IUPAC name of 8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane?
The IUPAC name of 8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane (CID 131639072) is 8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane.
What is the SMILES notation for 8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane?
The canonical SMILES for 8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane is CCOCC1CCN(C)C2(C1)CN(S(=O)(=O)c1cccc(F)c1)C2.
What is the InChIKey of 8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane?
The InChIKey is KKVBVKAFQWTRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-3-23-11-14-7-8-19(2)17(10-14)12-20(13-17)24(21,22)16-6-4-5-15(18)9-16/h4-6,9,14H,3,7-8,10-13H2,1-2H3.
What are the key properties of 8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane?
8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane has a molecular weight of 356.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethoxymethyl)-2-(3-fluorophenyl)sulfonyl-5-methyl-2,5-diazaspiro[3.5]nonane is sourced from PubChem (CID 131639072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).