1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C27H35N3O3S — CID 153293103

IUPAC1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H35N3O3S/c1-28-27(22-9-4-3-5-10-22)17-15-26(16-18-27)20-29(25(31)30(26)19-21-7-6-8-21)23-11-13-24(14-12-23)34(2,32)33/h3-5,9-14,21,28H,6-8,15-20H2,1-2H3
InChIKeyPJFUCODNYXSDJD-UHFFFAOYSA-N
MW481.66 g/mol
LogP4.56
Rot. Bonds6

About 1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 153293103) has the molecular formula C27H35N3O3S and a molecular weight of 481.66 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID153293103
Molecular FormulaC27H35N3O3S
Molecular Weight481.66 g/mol
Exact Mass481.24
IUPAC Name1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H35N3O3S/c1-28-27(22-9-4-3-5-10-22)17-15-26(16-18-27)20-29(25(31)30(26)19-21-7-6-8-21)23-11-13-24(14-12-23)34(2,32)33/h3-5,9-14,21,28H,6-8,15-20H2,1-2H3
InChIKeyPJFUCODNYXSDJD-UHFFFAOYSA-N
XLogP4.56
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.66
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 53372094
N-(2-ethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372217
N-(3,4-dimethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372743
N-(4-methylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372745
N-(3-ethylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372867
N-(4-butylphenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372871
4-(2-oxoimidazolidin-1-yl)-N-(4-pentylphenyl)benzenesulfonamide
CID 53372872
1-[4-[[Benzyl(propyl)amino]methyl]phenyl]-3-[(4-ethylsulfonylphenyl)methyl]urea
CID 141738525
(1R,5S)-3-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 44190908
1-[3-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]propyl]-3-(4-methylsulfinylphenyl)urea
CID 44295267
1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-(4-methanesulfonyl-phenyl)-urea
CID 44295288
N-[4-(benzenesulfonyl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 137649739

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 153293103) is 1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is PJFUCODNYXSDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3S/c1-28-27(22-9-4-3-5-10-22)17-15-26(16-18-27)20-29(25(31)30(26)19-21-7-6-8-21)23-11-13-24(14-12-23)34(2,32)33/h3-5,9-14,21,28H,6-8,15-20H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 481.66 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 153293103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).