8-(4-propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane

C16H23NO4S — CID 3313428

IUPAC8-(4-propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H23NO4S/c1-13(2)14-3-5-15(6-4-14)22(18,19)17-9-7-16(8-10-17)20-11-12-21-16/h3-6,13H,7-12H2,1-2H3
InChIKeyGQZAVZBMTUFCNO-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.34
Rot. Bonds3

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

8-(4-propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 3313428) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 8-(4-propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID3313428
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name8-(4-propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C16H23NO4S/c1-13(2)14-3-5-15(6-4-14)22(18,19)17-9-7-16(8-10-17)20-11-12-21-16/h3-6,13H,7-12H2,1-2H3
InChIKeyGQZAVZBMTUFCNO-UHFFFAOYSA-N
XLogP2.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.34
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-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-({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
(3S)-3-methyl-8-[3-phenyl-5-(trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 90681256

Frequently Asked Questions

What is the IUPAC name of 8-(4-propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(4-propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane (CID 3313428) is 8-(4-propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(4-propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(4-propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of 8-(4-propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is GQZAVZBMTUFCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-13(2)14-3-5-15(6-4-14)22(18,19)17-9-7-16(8-10-17)20-11-12-21-16/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 8-(4-propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane?
8-(4-propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 325.43 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-propan-2-ylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 3313428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).