3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol

C16H23NO5S — CID 154846581

IUPAC3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol
SMILESCOc1cccc(O)c1S(=O)(=O)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C16H23NO5S/c1-21-14-4-2-3-13(18)15(14)23(19,20)17-9-5-16(6-10-17)7-11-22-12-8-16/h2-4,18H,5-12H2,1H3
InChIKeyIQYAVERKKJYSLN-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.98
Rot. Bonds3

About 3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol

3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol (PubChem CID 154846581) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol.

Molecular Properties

Compound Name3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol
PubChem CID154846581
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Name3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol
SMILESCOc1cccc(O)c1S(=O)(=O)N1CCC2(CCOCC2)CC1
InChIInChI=1S/C16H23NO5S/c1-21-14-4-2-3-13(18)15(14)23(19,20)17-9-5-16(6-10-17)7-11-22-12-8-16/h2-4,18H,5-12H2,1H3
InChIKeyIQYAVERKKJYSLN-UHFFFAOYSA-N
XLogP1.98
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-hydroxy-6-methoxyphenyl)sulfonyl-N-methylmorpholine-2-carboxamide
CID 138013474
[1-(2,6-dimethoxyphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777089
1-(2,6-dimethoxyphenyl)sulfonyl-1,4-diazepane
CID 120707034
1-(2-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123808
methyl 2-[4-[(2-methoxy-6-phenylphenyl)sulfonylmethylamino]oxan-4-yl]acetate
CID 141041748
2-[2-fluoro-4-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenoxy]acetic acid
CID 154744045
1-(2,6-dichlorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 4089180
2-morpholin-4-ylsulfonylphenol
CID 79020270
(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 131909764
(2,6-dimethoxyphenyl)-(4-ethoxyoxan-4-yl)methanone
CID 116810111
(4aS,10bS)-7-methoxy-1'-morpholin-4-ylsulfonylspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]
CID 110144148
(3-morpholin-4-ylsulfonylphenyl)methyl 2-hydroxy-3-methoxybenzoate
CID 29382847

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol?
The IUPAC name of 3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol (CID 154846581) is 3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol.
What is the SMILES notation for 3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol?
The canonical SMILES for 3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol is COc1cccc(O)c1S(=O)(=O)N1CCC2(CCOCC2)CC1.
What is the InChIKey of 3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol?
The InChIKey is IQYAVERKKJYSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-21-14-4-2-3-13(18)15(14)23(19,20)17-9-5-16(6-10-17)7-11-22-12-8-16/h2-4,18H,5-12H2,1H3.
What are the key properties of 3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol?
3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol has a molecular weight of 341.43 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-oxa-9-azaspiro[5.5]undecan-9-ylsulfonyl)phenol is sourced from PubChem (CID 154846581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).