potassium;tert-butyl 2-azaspiro[4.4]nonane-2-carboxylate;tert-butyl 7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;(5S)-1-chloro-5,6-dihydroxyhexan-2-one;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2,7-diazaspiro[4.4]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]indole-2-carbonitrile;(6S)-6-(hydroxymethyl)morpholin-3-one;2-methylpropan-2-olate

C99H122Cl2F9KN16O15S3 — CID 159301363

About potassium;tert-butyl 2-azaspiro[4.4]nonane-2-carboxylate;tert-butyl 7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;(5S)-1-chloro-5,6-dihydroxyhexan-2-one;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2,7-diazaspiro[4.4]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]indole-2-carbonitrile;(6S)-6-(hydroxymethyl)morpholin-3-one;2-methylpropan-2-olate

potassium;tert-butyl 2-azaspiro[4.4]nonane-2-carboxylate;tert-butyl 7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;(5S)-1-chloro-5,6-dihydroxyhexan-2-one;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2,7-diazaspiro[4.4]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]indole-2-carbonitrile;(6S)-6-(hydroxymethyl)morpholin-3-one;2-methylpropan-2-olate (PubChem CID 159301363) has the molecular formula C99H122Cl2F9KN16O15S3 and a molecular weight of 2153.35 g/mol. Its IUPAC name is potassium;tert-butyl 2-azaspiro[4.4]nonane-2-carboxylate;tert-butyl 7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;(5S)-1-chloro-5,6-dihydroxyhexan-2-one;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2,7-diazaspiro[4.4]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]indole-2-carbonitrile;(6S)-6-(hydroxymethyl)morpholin-3-one;2-methylpropan-2-olate.

Molecular Properties

• Compound Name: potassium;tert-butyl 2-azaspiro[4.4]nonane-2-carboxylate;tert-butyl 7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;(5S)-1-chloro-5,6-dihydroxyhexan-2-one;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2,7-diazaspiro[4.4]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]indole-2-carbonitrile;(6S)-6-(hydroxymethyl)morpholin-3-one;2-methylpropan-2-olate
• PubChem CID: 159301363
• Molecular Formula: C99H122Cl2F9KN16O15S3
• Molecular Weight: 2153.35 g/mol
• Exact Mass: 2150.73
• IUPAC Name: potassium;tert-butyl 2-azaspiro[4.4]nonane-2-carboxylate;tert-butyl 7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;(5S)-1-chloro-5,6-dihydroxyhexan-2-one;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2,7-diazaspiro[4.4]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]indole-2-carbonitrile;(6S)-6-(hydroxymethyl)morpholin-3-one;2-methylpropan-2-olate
• SMILES: CC(C)(C)OC(=O)N1CCC2(CCCC2)C1.CC(C)(C)OC(=O)N1CCC2(CCN(c3ncnc4sc(CC(F)(F)F)cc34)C2)C1.CC(C)(C)[O-].Cc1c(C=O)ccc2c1C=C(C#N)C2.Cc1c(C=O)ccc2c1cc(C#N)n2C[C@@H]1CNC(=O)CO1.FC(F)(F)Cc1cc2c(Cl)ncnc2s1.FC(F)(F)Cc1cc2c(N3CCC4(CCNC4)C3)ncnc2s1.O=C(CCl)CC[C@H](O)CO.O=C1CO[C@H](CO)CN1.[K+]
• InChI: InChI=1S/C20H25F3N4O2S.C16H15N3O3.C15H17F3N4S.C13H23NO2.C12H9NO.C8H4ClF3N2S.C6H11ClO3.C5H9NO3.C4H9O.K/c1-18(2,3)29-17(28)27-7-5-19(11-27)4-6-26(10-19)15-14-8-13(9-20(21,22)23)30-16(14)25-12-24-15;1-10-11(8-20)2-3-15-14(10)4-12(5-17)19(15)7-13-6-18-16(21)9-22-13;16-15(17,18)6-10-5-11-12(20-9-21-13(11)23-10)22-4-2-14(8-22)1-3-19-7-14;1-12(2,3)16-11(15)14-9-8-13(10-14)6-4-5-7-13;1-8-11(7-14)3-2-10-4-9(6-13)5-12(8)10;9-6-5-1-4(2-8(10,11)12)15-7(5)14-3-13-6;7-3-5(9)1-2-6(10)4-8;7-2-4-1-6-5(8)3-9-4;1-4(2,3)5;/h8,12H,4-7,9-11H2,1-3H3;2-4,8,13H,6-7,9H2,1H3,(H,18,21);5,9,19H,1-4,6-8H2;4-10H2,1-3H3;2-3,5,7H,4H2,1H3;1,3H,2H2;6,8,10H,1-4H2;4,7H,1-3H2,(H,6,8);1-3H3;/q;;;;;;;;-1;+1/t;13-;;;;;6-;4-;;/m.0....00../s1
• InChIKey: LBJLXCBJOSPJJO-QBSTWICWSA-N
• XLogP: 13.25
• TPSA: 419.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2153.35
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl 2-azaspiro[4.4]nonane-2-carboxylate;tert-butyl 7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;(5S)-1-chloro-5,6-dihydroxyhexan-2-one;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2,7-diazaspiro[4.4]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]indole-2-carbonitrile;(6S)-6-(hydroxymethyl)morpholin-3-one;2-methylpropan-2-olate?

The IUPAC name of potassium;tert-butyl 2-azaspiro[4.4]nonane-2-carboxylate;tert-butyl 7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;(5S)-1-chloro-5,6-dihydroxyhexan-2-one;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2,7-diazaspiro[4.4]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]indole-2-carbonitrile;(6S)-6-(hydroxymethyl)morpholin-3-one;2-methylpropan-2-olate (CID 159301363) is potassium;tert-butyl 2-azaspiro[4.4]nonane-2-carboxylate;tert-butyl 7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;(5S)-1-chloro-5,6-dihydroxyhexan-2-one;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2,7-diazaspiro[4.4]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]indole-2-carbonitrile;(6S)-6-(hydroxymethyl)morpholin-3-one;2-methylpropan-2-olate.

What is the SMILES notation for potassium;tert-butyl 2-azaspiro[4.4]nonane-2-carboxylate;tert-butyl 7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;(5S)-1-chloro-5,6-dihydroxyhexan-2-one;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2,7-diazaspiro[4.4]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]indole-2-carbonitrile;(6S)-6-(hydroxymethyl)morpholin-3-one;2-methylpropan-2-olate?

The canonical SMILES for potassium;tert-butyl 2-azaspiro[4.4]nonane-2-carboxylate;tert-butyl 7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;(5S)-1-chloro-5,6-dihydroxyhexan-2-one;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2,7-diazaspiro[4.4]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]indole-2-carbonitrile;(6S)-6-(hydroxymethyl)morpholin-3-one;2-methylpropan-2-olate is CC(C)(C)OC(=O)N1CCC2(CCCC2)C1.CC(C)(C)OC(=O)N1CCC2(CCN(c3ncnc4sc(CC(F)(F)F)cc34)C2)C1.CC(C)(C)[O-].Cc1c(C=O)ccc2c1C=C(C#N)C2.Cc1c(C=O)ccc2c1cc(C#N)n2C[C@@H]1CNC(=O)CO1.FC(F)(F)Cc1cc2c(Cl)ncnc2s1.FC(F)(F)Cc1cc2c(N3CCC4(CCNC4)C3)ncnc2s1.O=C(CCl)CC[C@H](O)CO.O=C1CO[C@H](CO)CN1.[K+].

What is the InChIKey of potassium;tert-butyl 2-azaspiro[4.4]nonane-2-carboxylate;tert-butyl 7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;(5S)-1-chloro-5,6-dihydroxyhexan-2-one;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2,7-diazaspiro[4.4]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]indole-2-carbonitrile;(6S)-6-(hydroxymethyl)morpholin-3-one;2-methylpropan-2-olate?

The InChIKey is LBJLXCBJOSPJJO-QBSTWICWSA-N. The full InChI is InChI=1S/C20H25F3N4O2S.C16H15N3O3.C15H17F3N4S.C13H23NO2.C12H9NO.C8H4ClF3N2S.C6H11ClO3.C5H9NO3.C4H9O.K/c1-18(2,3)29-17(28)27-7-5-19(11-27)4-6-26(10-19)15-14-8-13(9-20(21,22)23)30-16(14)25-12-24-15;1-10-11(8-20)2-3-15-14(10)4-12(5-17)19(15)7-13-6-18-16(21)9-22-13;16-15(17,18)6-10-5-11-12(20-9-21-13(11)23-10)22-4-2-14(8-22)1-3-19-7-14;1-12(2,3)16-11(15)14-9-8-13(10-14)6-4-5-7-13;1-8-11(7-14)3-2-10-4-9(6-13)5-12(8)10;9-6-5-1-4(2-8(10,11)12)15-7(5)14-3-13-6;7-3-5(9)1-2-6(10)4-8;7-2-4-1-6-5(8)3-9-4;1-4(2,3)5;/h8,12H,4-7,9-11H2,1-3H3;2-4,8,13H,6-7,9H2,1H3,(H,18,21);5,9,19H,1-4,6-8H2;4-10H2,1-3H3;2-3,5,7H,4H2,1H3;1,3H,2H2;6,8,10H,1-4H2;4,7H,1-3H2,(H,6,8);1-3H3;/q;;;;;;;;-1;+1/t;13-;;;;;6-;4-;;/m.0....00../s1.

What are the key properties of potassium;tert-butyl 2-azaspiro[4.4]nonane-2-carboxylate;tert-butyl 7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;(5S)-1-chloro-5,6-dihydroxyhexan-2-one;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2,7-diazaspiro[4.4]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]indole-2-carbonitrile;(6S)-6-(hydroxymethyl)morpholin-3-one;2-methylpropan-2-olate?

potassium;tert-butyl 2-azaspiro[4.4]nonane-2-carboxylate;tert-butyl 7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;(5S)-1-chloro-5,6-dihydroxyhexan-2-one;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2,7-diazaspiro[4.4]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]indole-2-carbonitrile;(6S)-6-(hydroxymethyl)morpholin-3-one;2-methylpropan-2-olate has a molecular weight of 2153.35 g/mol, XLogP of 13.25, 15 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;tert-butyl 2-azaspiro[4.4]nonane-2-carboxylate;tert-butyl 7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate;(5S)-1-chloro-5,6-dihydroxyhexan-2-one;4-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-(2,7-diazaspiro[4.4]nonan-2-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;5-formyl-4-methyl-1H-indene-2-carbonitrile;5-formyl-4-methyl-1-[[(2S)-5-oxomorpholin-2-yl]methyl]indole-2-carbonitrile;(6S)-6-(hydroxymethyl)morpholin-3-one;2-methylpropan-2-olate is sourced from PubChem (CID 159301363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).