9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

C15H21NO5S — CID 90510515

IUPAC9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCOc1cccc(S(=O)(=O)N2CCC3(CC2)OCCCO3)c1
InChIInChI=1S/C15H21NO5S/c1-19-13-4-2-5-14(12-13)22(17,18)16-8-6-15(7-9-16)20-10-3-11-21-15/h2,4-5,12H,3,6-11H2,1H3
InChIKeyUAPQWYXVYVPBBG-UHFFFAOYSA-N
MW327.40 g/mol
LogP1.61
Rot. Bonds3

About 9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 90510515) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is 9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID90510515
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCOc1cccc(S(=O)(=O)N2CCC3(CC2)OCCCO3)c1
InChIInChI=1S/C15H21NO5S/c1-19-13-4-2-5-14(12-13)22(17,18)16-8-6-15(7-9-16)20-10-3-11-21-15/h2,4-5,12H,3,6-11H2,1H3
InChIKeyUAPQWYXVYVPBBG-UHFFFAOYSA-N
XLogP1.61
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97116828
4,8-bis[(3-methoxyphenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
CID 59565045
1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 81264716
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine
CID 163316787
ethane;1-(3-methoxyphenyl)sulfonylpiperidin-4-one
CID 143985284
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 4530137
1-(3-methoxyphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 91823993
9-(3-chloro-4-fluorophenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 23909983
9-(2-methoxy-5-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510529
4-(3-methoxyphenyl)sulfonyl-2-methylmorpholine-2-carboxamide
CID 118739873
1-[4-(3-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797804

Frequently Asked Questions

What is the IUPAC name of 9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane (CID 90510515) is 9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane is COc1cccc(S(=O)(=O)N2CCC3(CC2)OCCCO3)c1.
What is the InChIKey of 9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is UAPQWYXVYVPBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-19-13-4-2-5-14(12-13)22(17,18)16-8-6-15(7-9-16)20-10-3-11-21-15/h2,4-5,12H,3,6-11H2,1H3.
What are the key properties of 9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 327.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 90510515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).