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

C22H32FN3O3S — CID 130210910

IUPAC1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2cccc(F)c2)CCC2(CC1)CN(CCS(C)(=O)=O)C(=O)N2CC1CC1
InChIInChI=1S/C22H32FN3O3S/c1-24-22(18-4-3-5-19(23)14-18)10-8-21(9-11-22)16-25(12-13-30(2,28)29)20(27)26(21)15-17-6-7-17/h3-5,14,17,24H,6-13,15-16H2,1-2H3
InChIKeySLPJZXPPYSRATL-UHFFFAOYSA-N
MW437.58 g/mol
LogP2.75
Rot. Bonds7

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

1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130210910) has the molecular formula C22H32FN3O3S and a molecular weight of 437.58 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130210910
Molecular FormulaC22H32FN3O3S
Molecular Weight437.58 g/mol
Exact Mass437.21
IUPAC Name1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCNC1(c2cccc(F)c2)CCC2(CC1)CN(CCS(C)(=O)=O)C(=O)N2CC1CC1
InChIInChI=1S/C22H32FN3O3S/c1-24-22(18-4-3-5-19(23)14-18)10-8-21(9-11-22)16-25(12-13-30(2,28)29)20(27)26(21)15-17-6-7-17/h3-5,14,17,24H,6-13,15-16H2,1-2H3
InChIKeySLPJZXPPYSRATL-UHFFFAOYSA-N
XLogP2.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]propanal
CID 130214726
2-[[2-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]acetamide
CID 130200514
1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one
CID 158263194
N-(2-amino-2-oxoethyl)-3-[1-(cyclobutylmethyl)-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
CID 130201022
(5R)-2-(cyclopropylmethyl)-9-(3-fluorophenyl)-6-methyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373562
1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propane-2-sulfinate
CID 155409697
1-[1-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpropan-2-yl]pyrrolidine-2,5-dione
CID 130202953
3-[1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)propanamide
CID 130201177
1-(cyclobutylmethyl)-3-[3-(3,4-dihydroxypyrrolidin-1-yl)-3-oxopropyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201035
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 130200463
1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-(pyrimidin-2-ylmethyl)-1,3-diazaspiro[4.5]decan-2-one
CID 130202422
N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;N-(2-amino-2-oxoethyl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methylacetamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-hydroxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide
CID 160846685

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one (CID 130210910) is 1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one is CNC1(c2cccc(F)c2)CCC2(CC1)CN(CCS(C)(=O)=O)C(=O)N2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is SLPJZXPPYSRATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O3S/c1-24-22(18-4-3-5-19(23)14-18)10-8-21(9-11-22)16-25(12-13-30(2,28)29)20(27)26(21)15-17-6-7-17/h3-5,14,17,24H,6-13,15-16H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 437.58 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130210910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).