8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C13H16BrNO4S — CID 2242104

IUPAC8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H16BrNO4S/c14-11-1-3-12(4-2-11)20(16,17)15-7-5-13(6-8-15)18-9-10-19-13/h1-4H,5-10H2
InChIKeyFCQMOCFTFSHYNU-UHFFFAOYSA-N
MW362.25 g/mol
LogP1.98
Rot. Bonds2

About 8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 2242104) has the molecular formula C13H16BrNO4S and a molecular weight of 362.25 g/mol. Its IUPAC name is 8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID2242104
Molecular FormulaC13H16BrNO4S
Molecular Weight362.25 g/mol
Exact Mass361.00
IUPAC Name8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H16BrNO4S/c14-11-1-3-12(4-2-11)20(16,17)15-7-5-13(6-8-15)18-9-10-19-13/h1-4H,5-10H2
InChIKeyFCQMOCFTFSHYNU-UHFFFAOYSA-N
XLogP1.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(2,5-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464811
8-(Phenylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 735890
8-(3,4-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3828433
8-[(4-Fluorophenyl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 735891
4-(1,4-Dioxa-8-azaspiro[4.5]decane-8-sulfonyl)benzene-1-sulfonamide
CID 71364073
4-{1,4-Dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-N,N-dimethylbenzene-1-sulfonamide
CID 1433306
(2R,6R)-4-(4-bromophenyl)sulfonyl-2-ethoxy-6-(ethoxymethyl)-2-methylmorpholine
CID 16757131
8-(3-Fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3274905
8-(2,4-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3855937
8-(2-Fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 35398966
8-(2-Bromo-4-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 52388799
8-(2,6-Dibromo-4-fluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 56373058

Frequently Asked Questions

What is the IUPAC name of 8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 2242104) is 8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(c1ccc(Br)cc1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is FCQMOCFTFSHYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO4S/c14-11-1-3-12(4-2-11)20(16,17)15-7-5-13(6-8-15)18-9-10-19-13/h1-4H,5-10H2.
What are the key properties of 8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 362.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 2242104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).