9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

C17H25NO4S — CID 3853821

IUPAC9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCCO3)cc1
InChIInChI=1S/C17H25NO4S/c1-14(2)15-4-6-16(7-5-15)23(19,20)18-10-8-17(9-11-18)21-12-3-13-22-17/h4-7,14H,3,8-13H2,1-2H3
InChIKeyCJIFJOCNBGSRCL-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.73
Rot. Bonds3

About 9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane

9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 3853821) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID3853821
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCCO3)cc1
InChIInChI=1S/C17H25NO4S/c1-14(2)15-4-6-16(7-5-15)23(19,20)18-10-8-17(9-11-18)21-12-3-13-22-17/h4-7,14H,3,8-13H2,1-2H3
InChIKeyCJIFJOCNBGSRCL-UHFFFAOYSA-N
XLogP2.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane 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-(2,4-Dimethylphenyl)sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 6467872
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
4-(5-Methyl-1,3-dioxan-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 146628302
Ethyl 1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylate
CID 3861154
8-[4-(Trifluoromethyl)phenyl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 5161344
(3R*,4R*)-1-[(4-ethylphenyl)sulfonyl]-4-(2-methoxyethyl)-3-methyl-4-piperidinol
CID 72876877
5-(Methoxymethyl)-9-(4-methylphenyl)sulfonyl-3-oxa-9-azaspiro[5.5]undecane
CID 118740786
4-[(4-Cyclohexylphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2932492
8-{4-[(4-{1,4-Dioxa-8-azaspiro[4.5]decane-8-sulfonyl}phenyl)methyl]benzenesulfonyl}-1,4-dioxa-8-azaspiro[4.5]decane
CID 4548458
N-Methyl-N-[(oxan-4-YL)methyl]-4-(propan-2-YL)benzene-1-sulfonamide
CID 91905235

Frequently Asked Questions

What is the IUPAC name of 9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane (CID 3853821) is 9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane is CC(C)c1ccc(S(=O)(=O)N2CCC3(CC2)OCCCO3)cc1.
What is the InChIKey of 9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is CJIFJOCNBGSRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-14(2)15-4-6-16(7-5-15)23(19,20)18-10-8-17(9-11-18)21-12-3-13-22-17/h4-7,14H,3,8-13H2,1-2H3.
What are the key properties of 9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane?
9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 339.46 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-propan-2-ylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 3853821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).