2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane

C15H19F2NO4S — CID 155880821

IUPAC2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCOCCC1COC2(C1)CN(S(=O)(=O)c1cc(F)cc(F)c1)C2
InChIInChI=1S/C15H19F2NO4S/c1-21-3-2-11-7-15(22-8-11)9-18(10-15)23(19,20)14-5-12(16)4-13(17)6-14/h4-6,11H,2-3,7-10H2,1H3
InChIKeyMEHZUQKGEJSVJC-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.78
Rot. Bonds5

About 2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane

2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 155880821) has the molecular formula C15H19F2NO4S and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID155880821
Molecular FormulaC15H19F2NO4S
Molecular Weight347.38 g/mol
Exact Mass347.10
IUPAC Name2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane
SMILESCOCCC1COC2(C1)CN(S(=O)(=O)c1cc(F)cc(F)c1)C2
InChIInChI=1S/C15H19F2NO4S/c1-21-3-2-11-7-15(22-8-11)9-18(10-15)23(19,20)14-5-12(16)4-13(17)6-14/h4-6,11H,2-3,7-10H2,1H3
InChIKeyMEHZUQKGEJSVJC-UHFFFAOYSA-N
XLogP1.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2-methoxyethyl)-2-pyridin-3-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
CID 155880374
(8S)-2-(3-fluorophenyl)sulfonyl-8-methoxy-5-oxa-2-azaspiro[3.5]nonane
CID 124804203
7-[2-[(2-fluorophenyl)methoxy]ethyl]-2-propan-2-ylsulfonyl-5-oxa-2-azaspiro[3.4]octane
CID 155881267
2-methoxy-1-[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 146074060
[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-2-ylmethanone
CID 154579335
[(3R)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394793
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394794
4-(3,5-difluorophenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 169160863
(3S)-3-methoxy-8-(3-methylphenyl)sulfonyl-1-oxa-8-azaspiro[4.5]decane
CID 97450738
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97487075
(4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395183
2-[(7R)-2-(benzenesulfonyl)-5-oxa-2-azaspiro[3.4]octan-7-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 164639986

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane (CID 155880821) is 2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane is COCCC1COC2(C1)CN(S(=O)(=O)c1cc(F)cc(F)c1)C2.
What is the InChIKey of 2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is MEHZUQKGEJSVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO4S/c1-21-3-2-11-7-15(22-8-11)9-18(10-15)23(19,20)14-5-12(16)4-13(17)6-14/h4-6,11H,2-3,7-10H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane?
2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 347.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)sulfonyl-7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 155880821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).