8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) — IUPAC name, SMILES, InChIKey & properties

Name: 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)

8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) (PubChem CID 158716837) has the molecular formula C98H120F8N16O10S2 and a molecular weight of 1898.26 g/mol. Its IUPAC name is 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one).

Molecular Properties

Compound Name	8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)
PubChem CID	158716837
Molecular Formula	C98H120F8N16O10S2
Molecular Weight	1898.26 g/mol
Exact Mass	1896.87
IUPAC Name	8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)
SMILES	CN(C)C1(c2ccc(F)cc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2
InChI	InChI=1S/2C25H30F3N5O2.2C24H30FN3O3S/c21-32(15-18-7-12-35-16-18)24(19-5-3-2-4-6-19)10-8-23(9-11-24)17-33(22(34)31-23)20-13-29-21(30-14-20)25(26,27)28;1-27(2)24(19-8-6-9-20(25)15-19)13-11-23(12-14-24)17-28(22(29)26-23)21-10-5-4-7-18(21)16-32(3,30)31;1-27(2)24(19-8-10-20(25)11-9-19)14-12-23(13-15-24)17-28(22(29)26-23)21-7-5-4-6-18(21)16-32(3,30)31/h22-6,13-14,18H,7-12,15-17H2,1H3,(H,31,34);4-10,15H,11-14,16-17H2,1-3H3,(H,26,29);4-11H,12-17H2,1-3H3,(H,26,29)
InChIKey	IJKMVEUPYOLIGW-UHFFFAOYSA-N
XLogP	15.74
TPSA	280.62 Å²
H-Bond Donors	4
H-Bond Acceptors	18
Rotatable Bonds	20
Heavy Atoms	134
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1898.26
LogP ≤ 5	15.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Analyze 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?

The IUPAC name of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) (CID 158716837) is 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one).

What is the SMILES notation for 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?

The canonical SMILES for 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) is CN(C)C1(c2ccc(F)cc2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.

What is the InChIKey of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?

The InChIKey is IJKMVEUPYOLIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H30F3N5O2.2C24H30FN3O3S/c2*1-32(15-18-7-12-35-16-18)24(19-5-3-2-4-6-19)10-8-23(9-11-24)17-33(22(34)31-23)20-13-29-21(30-14-20)25(26,27)28;1-27(2)24(19-8-6-9-20(25)15-19)13-11-23(12-14-24)17-28(22(29)26-23)21-10-5-4-7-18(21)16-32(3,30)31;1-27(2)24(19-8-10-20(25)11-9-19)14-12-23(13-15-24)17-28(22(29)26-23)21-7-5-4-6-18(21)16-32(3,30)31/h2*2-6,13-14,18H,7-12,15-17H2,1H3,(H,31,34);4-10,15H,11-14,16-17H2,1-3H3,(H,26,29);4-11H,12-17H2,1-3H3,(H,26,29).

What are the key properties of 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one)?

Where does this data come from?

All data for 8-(dimethylamino)-8-(3-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-[2-(methylsulfonylmethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one) is sourced from PubChem (CID 158716837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).