8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C13H15F2NO4S — CID 6464811

IUPAC8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H15F2NO4S/c14-10-1-2-11(15)12(9-10)21(17,18)16-5-3-13(4-6-16)19-7-8-20-13/h1-2,9H,3-8H2
InChIKeyICQNIDBPKUSAMT-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.49
Rot. Bonds2

About 8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 6464811) has the molecular formula C13H15F2NO4S and a molecular weight of 319.33 g/mol. Its IUPAC name is 8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID6464811
Molecular FormulaC13H15F2NO4S
Molecular Weight319.33 g/mol
Exact Mass319.07
IUPAC Name8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESO=S(=O)(c1cc(F)ccc1F)N1CCC2(CC1)OCCO2
InChIInChI=1S/C13H15F2NO4S/c14-10-1-2-11(15)12(9-10)21(17,18)16-5-3-13(4-6-16)19-7-8-20-13/h1-2,9H,3-8H2
InChIKeyICQNIDBPKUSAMT-UHFFFAOYSA-N
XLogP1.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2,5-difluorophenyl)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-Tosyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 2242101
8-(Phenylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 735890
8-((4-Chlorophenyl)sulfonyl)-1,4-dioxa-8-azaspiro(4.5)decane
CID 2242102
N-Butyl-4-(1,4-dioxa-8-aza-spiro[4.5]decane-8-sulfonyl)-benzenesulfonamide
CID 3221375
8-(3,4-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3828433
8-((4-Bromophenyl)sulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2242104
8-[(4-Fluorophenyl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 735891
8-(4-Pyrrolidin-1-ylsulfonylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 1433287
8-[4-(Trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 5161344
1-((3,5-Difluorophenyl)sulfonyl)-4-methoxypiperidine
CID 49720668
8-((2,6-Difluorophenyl)sulfonyl)-1-oxa-4-thia-8-azaspiro[4.5]decane
CID 56764688
4-(1,4-Dioxa-8-azaspiro[4.5]decane-8-sulfonyl)benzene-1-sulfonamide
CID 71364073

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 6464811) is 8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is O=S(=O)(c1cc(F)ccc1F)N1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is ICQNIDBPKUSAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO4S/c14-10-1-2-11(15)12(9-10)21(17,18)16-5-3-13(4-6-16)19-7-8-20-13/h1-2,9H,3-8H2.
What are the key properties of 8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 319.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 6464811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).