7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane

C25H33ClN2O3S — CID 69428173

IUPAC7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane
SMILESCC(C)COc1ccccc1CN1CCC2(CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C25H33ClN2O3S/c1-20(2)17-31-24-7-4-3-6-21(24)16-27-15-13-25(18-27)12-5-14-28(19-25)32(29,30)23-10-8-22(26)9-11-23/h3-4,6-11,20H,5,12-19H2,1-2H3
InChIKeyPVGYCGXPDAKRDA-UHFFFAOYSA-N
MW477.07 g/mol
LogP5.05
Rot. Bonds7

About 7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane

7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 69428173) has the molecular formula C25H33ClN2O3S and a molecular weight of 477.07 g/mol. Its IUPAC name is 7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane
PubChem CID69428173
Molecular FormulaC25H33ClN2O3S
Molecular Weight477.07 g/mol
Exact Mass476.19
IUPAC Name7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane
SMILESCC(C)COc1ccccc1CN1CCC2(CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C25H33ClN2O3S/c1-20(2)17-31-24-7-4-3-6-21(24)16-27-15-13-25(18-27)12-5-14-28(19-25)32(29,30)23-10-8-22(26)9-11-23/h3-4,6-11,20H,5,12-19H2,1-2H3
InChIKeyPVGYCGXPDAKRDA-UHFFFAOYSA-N
XLogP5.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.07
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecane
CID 69426398
4-[[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]sulfonyl]benzoic acid
CID 69427589
2-(4-chlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 69429885
[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-4-ylmethanone
CID 69429871
(4-chlorophenyl)-[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 69427957
9-[[2-(2-methylpropoxy)phenyl]methyl]-3-(3-nitrophenyl)sulfonyl-3,9-diazaspiro[5.5]undecane
CID 69427530
3-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecane
CID 69439048
(4-chloro-2-methylsulfonylphenyl)-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 69430170
2,4-dimethyl-5-[[9-[[2-(2-methylpropoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]sulfonyl]-1,3-thiazole
CID 69437672
2-(2,4-dichlorophenyl)-1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 69443394
1-[8-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 69429169
(4-tert-butylphenyl)-[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 69429929

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane (CID 69428173) is 7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane is CC(C)COc1ccccc1CN1CCC2(CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)C1.
What is the InChIKey of 7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is PVGYCGXPDAKRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O3S/c1-20(2)17-31-24-7-4-3-6-21(24)16-27-15-13-25(18-27)12-5-14-28(19-25)32(29,30)23-10-8-22(26)9-11-23/h3-4,6-11,20H,5,12-19H2,1-2H3.
What are the key properties of 7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane?
7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane has a molecular weight of 477.07 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)sulfonyl-2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 69428173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).