2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane

C17H26N2O3S — CID 131643845

IUPAC2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCCS(=O)(=O)N1CCCC2(COCCN(c3ccccc3)C2)C1
InChIInChI=1S/C17H26N2O3S/c1-2-23(20,21)19-10-6-9-17(14-19)13-18(11-12-22-15-17)16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3
InChIKeyQHEXLAYGEGIAEG-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.96
Rot. Bonds3

About 2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane

2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 131643845) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID131643845
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESCCS(=O)(=O)N1CCCC2(COCCN(c3ccccc3)C2)C1
InChIInChI=1S/C17H26N2O3S/c1-2-23(20,21)19-10-6-9-17(14-19)13-18(11-12-22-15-17)16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3
InChIKeyQHEXLAYGEGIAEG-UHFFFAOYSA-N
XLogP1.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-2-ethylsulfonyl-11-(6-methylpyridazin-3-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494848
(6R)-2-ethylsulfonyl-11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494739
(6R)-2-ethylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494985
2-ethylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155855463
2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134070420
[(2R)-oxolan-2-yl]-[(6S)-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494631
2-[(1-methylpyrazol-4-yl)methyl]-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155854353
2-methylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131645287
(6R)-2-methylsulfonyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494819
(6S)-8-ethylsulfonyl-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374543
(5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97450240
(5S)-7-(benzenesulfonyl)-2-pyridin-4-yl-2,7-diazaspiro[4.5]decane
CID 3235151

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 131643845) is 2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane is CCS(=O)(=O)N1CCCC2(COCCN(c3ccccc3)C2)C1.
What is the InChIKey of 2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is QHEXLAYGEGIAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-2-23(20,21)19-10-6-9-17(14-19)13-18(11-12-22-15-17)16-7-4-3-5-8-16/h3-5,7-8H,2,6,9-15H2,1H3.
What are the key properties of 2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane?
2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 338.47 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 131643845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).