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

C17H25NO4S — CID 5167940

IUPAC8-(4-butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCCCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H25NO4S/c1-2-3-4-15-5-7-16(8-6-15)23(19,20)18-11-9-17(10-12-18)21-13-14-22-17/h5-8H,2-4,9-14H2,1H3
InChIKeyOXGPOJFZADDQJT-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.56
Rot. Bonds5

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

8-(4-butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 5167940) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 8-(4-butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID5167940
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name8-(4-butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCCCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C17H25NO4S/c1-2-3-4-15-5-7-16(8-6-15)23(19,20)18-11-9-17(10-12-18)21-13-14-22-17/h5-8H,2-4,9-14H2,1H3
InChIKeyOXGPOJFZADDQJT-UHFFFAOYSA-N
XLogP2.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-Tosyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 2242101
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
1-[4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)phenyl]ethanone
CID 1849349
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
8-(3-Chloro-4-methylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 3354350
8-[4-(Trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 5161344

Frequently Asked Questions

What is the IUPAC name of 8-(4-butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(4-butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 5167940) is 8-(4-butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(4-butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(4-butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is CCCCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-(4-butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is OXGPOJFZADDQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-2-3-4-15-5-7-16(8-6-15)23(19,20)18-11-9-17(10-12-18)21-13-14-22-17/h5-8H,2-4,9-14H2,1H3.
What are the key properties of 8-(4-butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(4-butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 339.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-butylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 5167940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).