4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane

C14H18BrNO3S — CID 4220097

IUPAC4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCOC12CCCCC2
InChIInChI=1S/C14H18BrNO3S/c15-12-4-6-13(7-5-12)20(17,18)16-10-11-19-14(16)8-2-1-3-9-14/h4-7H,1-3,8-11H2
InChIKeyVZUSEENLJQSZRS-UHFFFAOYSA-N
MW360.27 g/mol
LogP3.13
Rot. Bonds2

About 4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane

4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane (PubChem CID 4220097) has the molecular formula C14H18BrNO3S and a molecular weight of 360.27 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane
PubChem CID4220097
Molecular FormulaC14H18BrNO3S
Molecular Weight360.27 g/mol
Exact Mass359.02
IUPAC Name4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCOC12CCCCC2
InChIInChI=1S/C14H18BrNO3S/c15-12-4-6-13(7-5-12)20(17,18)16-10-11-19-14(16)8-2-1-3-9-14/h4-7H,1-3,8-11H2
InChIKeyVZUSEENLJQSZRS-UHFFFAOYSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(4-aminophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]sulfonyl]aniline
CID 59565071
1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219211
4,8-bis[(2,4-dibromophenyl)sulfonyl]-1-oxa-4,8-diazaspiro[4.5]decane
CID 58245532
4-(4-methoxyphenyl)sulfonyl-8-sulfanyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 122605910
[4-(1-oxa-4,9-diazaspiro[4.5]decan-4-ylsulfonyl)phenyl] cyanate
CID 144828045
1-[4-[(8-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone
CID 52918753
4-(4-methoxyphenyl)sulfonyl-8-methylidene-1-oxa-4-aza-8-azoniaspiro[4.5]decane
CID 91177963
1-[4-[[4-(4-acetylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methyl]phenyl]ethanone
CID 58245567
1-[4-[(8-prop-2-enyl-1-oxa-4,8-diazaspiro[4.5]decan-4-yl)sulfonyl]phenyl]ethanone
CID 46195039
1-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 7295598
8-butyl-4-(4-methoxyphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decane
CID 46195040
1-[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]butan-1-one
CID 20962456

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane?
The IUPAC name of 4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane (CID 4220097) is 4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane.
What is the SMILES notation for 4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane?
The canonical SMILES for 4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane is O=S(=O)(c1ccc(Br)cc1)N1CCOC12CCCCC2.
What is the InChIKey of 4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane?
The InChIKey is VZUSEENLJQSZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3S/c15-12-4-6-13(7-5-12)20(17,18)16-10-11-19-14(16)8-2-1-3-9-14/h4-7H,1-3,8-11H2.
What are the key properties of 4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane?
4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane has a molecular weight of 360.27 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfonyl-1-oxa-4-azaspiro[4.5]decane is sourced from PubChem (CID 4220097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).