8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C14H18N2O3S — CID 141062958

IUPAC8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESO=S(=O)(Cc1ccccc1)N1CCC2(CC=NO2)CC1
InChIInChI=1S/C14H18N2O3S/c17-20(18,12-13-4-2-1-3-5-13)16-10-7-14(8-11-16)6-9-15-19-14/h1-5,9H,6-8,10-12H2
InChIKeySFKCDWFFZSGYQD-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.76
Rot. Bonds3

About 8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 141062958) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID141062958
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESO=S(=O)(Cc1ccccc1)N1CCC2(CC=NO2)CC1
InChIInChI=1S/C14H18N2O3S/c17-20(18,12-13-4-2-1-3-5-13)16-10-7-14(8-11-16)6-9-15-19-14/h1-5,9H,6-8,10-12H2
InChIKeySFKCDWFFZSGYQD-UHFFFAOYSA-N
XLogP1.76
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884
2-(4-benzylsulfonylpiperazin-1-yl)ethanamine
CID 43252222
1'-benzylsulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
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2-(6-benzylsulfonyl-6-azaspiro[2.5]octan-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 56803987
1'-benzylsulfonyl-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760013
1'-benzylsulfonyl-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carbonitrile
CID 100760559
2-(2-benzyl-8-benzylsulfonyl-3-oxo-1,4,8-triazaspiro[4.5]decan-4-yl)acetic acid
CID 68889046
[1-benzylsulfonyl-4-[(2-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 25369839
1,5,9-tris(benzylsulfonyl)-3-methylidene-1,5,9-triazacyclododecane
CID 140984157
1-benzhydryl-4-benzylsulfonylpiperazine
CID 19682697
(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
1,5,9-tris(benzylsulfonyl)-3-(chloromethyl)-1,5,9-triazacyclododecane
CID 140984161

Frequently Asked Questions

What is the IUPAC name of 8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 141062958) is 8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is O=S(=O)(Cc1ccccc1)N1CCC2(CC=NO2)CC1.
What is the InChIKey of 8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is SFKCDWFFZSGYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-20(18,12-13-4-2-1-3-5-13)16-10-7-14(8-11-16)6-9-15-19-14/h1-5,9H,6-8,10-12H2.
What are the key properties of 8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 294.38 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzylsulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 141062958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).