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

C23H35N3O3S — CID 130202904

IUPAC1-(cyclobutylmethyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CCS(C)(=O)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C23H35N3O3S/c1-24-23(20-9-4-3-5-10-20)13-11-22(12-14-23)18-25(15-16-30(2,28)29)21(27)26(22)17-19-7-6-8-19/h3-5,9-10,19,24H,6-8,11-18H2,1-2H3
InChIKeyFGXKRDBJUXNYKT-UHFFFAOYSA-N
MW433.62 g/mol
LogP3.00
Rot. Bonds7

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

1-(cyclobutylmethyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202904) has the molecular formula C23H35N3O3S and a molecular weight of 433.62 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202904
Molecular FormulaC23H35N3O3S
Molecular Weight433.62 g/mol
Exact Mass433.24
IUPAC Name1-(cyclobutylmethyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CCS(C)(=O)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C23H35N3O3S/c1-24-23(20-9-4-3-5-10-20)13-11-22(12-14-23)18-25(15-16-30(2,28)29)21(27)26(22)17-19-7-6-8-19/h3-5,9-10,19,24H,6-8,11-18H2,1-2H3
InChIKeyFGXKRDBJUXNYKT-UHFFFAOYSA-N
XLogP3.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202904) is 1-(cyclobutylmethyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CNC1(c2ccccc2)CCC2(CC1)CN(CCS(C)(=O)=O)C(=O)N2CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is FGXKRDBJUXNYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3S/c1-24-23(20-9-4-3-5-10-20)13-11-22(12-14-23)18-25(15-16-30(2,28)29)21(27)26(22)17-19-7-6-8-19/h3-5,9-10,19,24H,6-8,11-18H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclobutylmethyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 433.62 g/mol, XLogP of 3.00, 7 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-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).