4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane

C21H22N4O3S — CID 57391006

IUPAC4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCOC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C21H22N4O3S/c26-29(27,17-6-2-1-3-7-17)25-14-15-28-21(25)10-12-24(13-11-21)20-16-22-18-8-4-5-9-19(18)23-20/h1-9,16H,10-15H2
InChIKeyUUPIIGACQRBPPF-UHFFFAOYSA-N
MW410.50 g/mol
LogP2.65
Rot. Bonds3

About 4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane

4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane (PubChem CID 57391006) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane
PubChem CID57391006
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane
SMILESO=S(=O)(c1ccccc1)N1CCOC12CCN(c1cnc3ccccc3n1)CC2
InChIInChI=1S/C21H22N4O3S/c26-29(27,17-6-2-1-3-7-17)25-14-15-28-21(25)10-12-24(13-11-21)20-16-22-18-8-4-5-9-19(18)23-20/h1-9,16H,10-15H2
InChIKeyUUPIIGACQRBPPF-UHFFFAOYSA-N
XLogP2.65
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-Morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide
CID 44526685
4-[3-(Benzenesulfonyl)quinoxalin-2-yl]morpholine
CID 70691801
N-[4-[(3-morpholin-4-ylquinoxalin-2-yl)sulfamoyl]phenyl]acetamide
CID 1910549
[(4-Methylphenyl)sulfonyl](3-morpholin-4-ylquinoxalin-2-yl)amine
CID 2305758
1-(phenylsulfonyl)-3-[3-(propan-2-yloxy)propyl]-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 664320
3-(benzenesulfonyl)-1-(2-methoxyethyl)-2H-imidazo[4,5-b]quinoxaline
CID 664837
Benzenesulfonyl-[3-(3-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]azanide
CID 1575593
Benzenesulfonyl-[3-(4-methylpyridin-1-ium-1-yl)quinoxalin-2-yl]azanide
CID 2305594
1-(2-Methoxyethyl)-3-[4-(quinoxalin-2-ylsulfamoyl)phenyl]thiourea
CID 2452523
2,5-difluoro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]quinoxalin-2-yl]benzenesulfonamide
CID 2560544
6-morpholino-N,N-bis(2-pyridinylmethyl)-3-pyridinesulfonamide
CID 2738754
1-(phenylsulfonyl)-3-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 5110043

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane?
The IUPAC name of 4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane (CID 57391006) is 4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane.
What is the SMILES notation for 4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane?
The canonical SMILES for 4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane is O=S(=O)(c1ccccc1)N1CCOC12CCN(c1cnc3ccccc3n1)CC2.
What is the InChIKey of 4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane?
The InChIKey is UUPIIGACQRBPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c26-29(27,17-6-2-1-3-7-17)25-14-15-28-21(25)10-12-24(13-11-21)20-16-22-18-8-4-5-9-19(18)23-20/h1-9,16H,10-15H2.
What are the key properties of 4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane?
4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane has a molecular weight of 410.50 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-8-quinoxalin-2-yl-1-oxa-4,8-diazaspiro[4.5]decane is sourced from PubChem (CID 57391006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).