(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol

C16H23NO5S — CID 97116828

IUPAC(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCOc1cccc(S(=O)(=O)N2CCC3(CC2)OCCC[C@@H]3O)c1
InChIInChI=1S/C16H23NO5S/c1-21-13-4-2-5-14(12-13)23(19,20)17-9-7-16(8-10-17)15(18)6-3-11-22-16/h2,4-5,12,15,18H,3,6-11H2,1H3/t15-/m0/s1
InChIKeyDBMKZLUOEQTSDI-HNNXBMFYSA-N
MW341.43 g/mol
LogP1.39
Rot. Bonds3

About (5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol

(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol (PubChem CID 97116828) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is (5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol.

Molecular Properties

Compound Name(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol
PubChem CID97116828
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Name(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol
SMILESCOc1cccc(S(=O)(=O)N2CCC3(CC2)OCCC[C@@H]3O)c1
InChIInChI=1S/C16H23NO5S/c1-21-13-4-2-5-14(12-13)23(19,20)17-9-7-16(8-10-17)15(18)6-3-11-22-16/h2,4-5,12,15,18H,3,6-11H2,1H3/t15-/m0/s1
InChIKeyDBMKZLUOEQTSDI-HNNXBMFYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(3-methoxyphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90510515
9-[(3-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 175657618
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-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124505554
(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-ol
CID 81258608
(8S)-8-methoxy-2-(3-methoxyphenyl)sulfonyl-5-oxa-2-azaspiro[3.5]nonane
CID 124800923
[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methoxyphenyl)methanone
CID 124965720
cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818032
4-cyclopropylidene-1-(3-methoxyphenyl)sulfonylpiperidine
CID 121187194
4-methoxy-1-(3-methoxyphenyl)sulfonyl-4-phenylpiperidine
CID 163316787
(5S,6S)-8-pyridin-3-ylsulfonyl-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110159618

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The IUPAC name of (5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol (CID 97116828) is (5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol.
What is the SMILES notation for (5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The canonical SMILES for (5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol is COc1cccc(S(=O)(=O)N2CCC3(CC2)OCCC[C@@H]3O)c1.
What is the InChIKey of (5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol?
The InChIKey is DBMKZLUOEQTSDI-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-21-13-4-2-5-14(12-13)23(19,20)17-9-7-16(8-10-17)15(18)6-3-11-22-16/h2,4-5,12,15,18H,3,6-11H2,1H3/t15-/m0/s1.
What are the key properties of (5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol?
(5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol has a molecular weight of 341.43 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(3-methoxyphenyl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-5-ol is sourced from PubChem (CID 97116828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).