1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one

C21H32N2O3S — CID 162625655

IUPAC1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C21H32N2O3S/c1-5-14-22-15-6-12-21(19(22)24)13-7-16-23(21)27(25,26)18-10-8-17(9-11-18)20(2,3)4/h8-11H,5-7,12-16H2,1-4H3
InChIKeyDYMCIUNJMNFKIV-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.54
Rot. Bonds4

About 1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one

1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162625655) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162625655
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1=O
InChIInChI=1S/C21H32N2O3S/c1-5-14-22-15-6-12-21(19(22)24)13-7-16-23(21)27(25,26)18-10-8-17(9-11-18)20(2,3)4/h8-11H,5-7,12-16H2,1-4H3
InChIKeyDYMCIUNJMNFKIV-UHFFFAOYSA-N
XLogP3.54
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-methoxyethyl)-1-(4-methoxyphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one
CID 162635414
9-methyl-1-[4-(trifluoromethoxy)phenyl]sulfonyl-1,9-diazaspiro[4.5]decan-10-one
CID 162630725
9-butyl-1-(4-methylphenyl)sulfonyl-1-azaspiro[4.4]non-8-ene
CID 101421703
N-[[4-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 63217971
4-(2,2-dimethylpyrrolidin-1-yl)sulfonyl-N-ethylaniline
CID 63219174
1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-one
CID 19811007
9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628852
3-(4-tert-butylphenyl)sulfonyl-2-methyl-1,3-oxazolidine
CID 110740284
9-cyclopropyl-1-(3-methylphenyl)sulfonyl-1,9-diazaspiro[4.5]decan-10-one
CID 163314849
1-(4-bromophenyl)sulfonyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83075489
4-(2,2-dimethylpyrrolidin-1-yl)sulfonylaniline
CID 63215909
1-(4-bromophenyl)sulfonyl-2,2-dimethylpyrrolidine
CID 63219211

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one (CID 162625655) is 1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one is CCCN1CCCC2(CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1=O.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is DYMCIUNJMNFKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-5-14-22-15-6-12-21(19(22)24)13-7-16-23(21)27(25,26)18-10-8-17(9-11-18)20(2,3)4/h8-11H,5-7,12-16H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 392.57 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-9-propyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162625655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).