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

C14H19NO4S — CID 2242101

IUPAC8-(4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H19NO4S/c1-12-2-4-13(5-3-12)20(16,17)15-8-6-14(7-9-15)18-10-11-19-14/h2-5H,6-11H2,1H3
InChIKeyAIUOOZWKSYNHFG-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.52
Rot. Bonds2

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

8-(4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 2242101) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 8-(4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID2242101
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name8-(4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C14H19NO4S/c1-12-2-4-13(5-3-12)20(16,17)15-8-6-14(7-9-15)18-10-11-19-14/h2-5H,6-11H2,1H3
InChIKeyAIUOOZWKSYNHFG-UHFFFAOYSA-N
XLogP1.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,5-Difluorophenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464811
8-(2,4-Dimethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467872
8-(Phenylsulfonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 735890
8-(4-Propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3313428
8-(4-Butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 5167940
1-[4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)phenyl]ethanone
CID 1849349
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
8-({1-[(4-Methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 3236857
8-[4-(4-Methyl-piperidine-1-sulfonyl)-benzenesulfonyl]-1,4-dioxa-8-aza-spiro[4.5]decane
CID 1433312
8-[4-(3-Methyl-piperidine-1-sulfonyl)-benzenesulfonyl]-1,4-dioxa-8-aza-spiro[4.5]decane
CID 3221368
8-[(2,5-Dimethylphenyl)sulfonyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467849

Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 2242101) is 8-(4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-(4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is AIUOOZWKSYNHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-12-2-4-13(5-3-12)20(16,17)15-8-6-14(7-9-15)18-10-11-19-14/h2-5H,6-11H2,1H3.
What are the key properties of 8-(4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 297.38 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 2242101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).