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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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).