(1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine

C157H201ClN40O21S10 — CID 167569522

About (1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine

(1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine (PubChem CID 167569522) has the molecular formula C157H201ClN40O21S10 and a molecular weight of 3340.72 g/mol. Its IUPAC name is (1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine.

Molecular Properties

• Compound Name: (1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine
• PubChem CID: 167569522
• Molecular Formula: C157H201ClN40O21S10
• Molecular Weight: 3340.72 g/mol
• Exact Mass: 3337.28
• IUPAC Name: (1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine
• SMILES: CCOC(=O)c1cnc(SC)nc1Cl.CCOC(=O)c1cnc(SC)nc1N[C@H]1C[C@@H]2CC[C@H]1C2.CS(=O)(=O)N1CCC(N)CC1.CS(=O)(=O)N1CCC(Nc2ncc3cc(C#N)c(=O)n([C@H]4C[C@@H]5CC[C@H]4C5)c3n2)CC1.CS(=O)(=O)N1CCC(Nc2ncc3cc(C#N)c(=O)n([C@H]4C[C@@H]5CC[C@H]4C5)c3n2)CC1.CS(=O)(=O)N1CCC(Nc2ncc3cc(C#N)c(=O)n([C@H]4C[C@H]5CC[C@@H]4C5)c3n2)CC1.CS(=O)c1ncc2cc(C#N)c(=O)n([C@H]3C[C@@H]4CC[C@H]3C4)c2n1.CSc1ncc(C(=O)O)c(N[C@H]2C[C@@H]3CC[C@H]2C3)n1.CSc1ncc(C=O)c(N[C@H]2C[C@@H]3CC[C@H]2C3)n1.CSc1ncc2cc(C#N)c(=O)n([C@H]3C[C@@H]4CC[C@H]3C4)c2n1.N[C@H]1C[C@@H]2CC[C@H]1C2
• InChI: InChI=1S/3C21H26N6O3S.C16H16N4O2S.C16H16N4OS.C15H21N3O2S.C13H17N3O2S.C13H17N3OS.C8H9ClN2O2S.C7H13N.C6H14N2O2S/c3*1-31(29,30)26-6-4-17(5-7-26)24-21-23-12-16-10-15(11-22)20(28)27(19(16)25-21)18-9-13-2-3-14(18)8-13;1-23(22)16-18-8-12-6-11(7-17)15(21)20(14(12)19-16)13-5-9-2-3-10(13)4-9;1-22-16-18-8-12-6-11(7-17)15(21)20(14(12)19-16)13-5-9-2-3-10(13)4-9;1-3-20-14(19)11-8-16-15(21-2)18-13(11)17-12-7-9-4-5-10(12)6-9;1-19-13-14-6-9(12(17)18)11(16-13)15-10-5-7-2-3-8(10)4-7;1-18-13-14-6-10(7-17)12(16-13)15-11-5-8-2-3-9(11)4-8;1-3-13-7(12)5-4-10-8(14-2)11-6(5)9;8-7-4-5-1-2-6(7)3-5;1-11(9,10)8-4-2-6(7)3-5-8/h3*10,12-14,17-18H,2-9H2,1H3,(H,23,24,25);6,8-10,13H,2-5H2,1H3;6,8-10,13H,2-5H2,1H3;8-10,12H,3-7H2,1-2H3,(H,16,17,18);6-8,10H,2-5H2,1H3,(H,17,18)(H,14,15,16);6-9,11H,2-5H2,1H3,(H,14,15,16);4H,3H2,1-2H3;5-7H,1-4,8H2;6H,2-5,7H2,1H3/t2*13-,14+,18+;13-,14+,18-;9-,10+,13+,23?;9-,10+,13+;9-,10+,12+;7-,8+,10+;8-,9+,11+;;5-,6+,7+;/m11011111.1./s1
• InChIKey: FSKYIKNOMOGQNZ-DJHSJQRYSA-N
• XLogP: 20.70
• TPSA: 858.75 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 61
• Rotatable Bonds: 33
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3340.72
LogP ≤ 5	20.70
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	61

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine?

The IUPAC name of (1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine (CID 167569522) is (1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine.

What is the SMILES notation for (1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine?

The canonical SMILES for (1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine is CCOC(=O)c1cnc(SC)nc1Cl.CCOC(=O)c1cnc(SC)nc1N[C@H]1C[C@@H]2CC[C@H]1C2.CS(=O)(=O)N1CCC(N)CC1.CS(=O)(=O)N1CCC(Nc2ncc3cc(C#N)c(=O)n([C@H]4C[C@@H]5CC[C@H]4C5)c3n2)CC1.CS(=O)(=O)N1CCC(Nc2ncc3cc(C#N)c(=O)n([C@H]4C[C@@H]5CC[C@H]4C5)c3n2)CC1.CS(=O)(=O)N1CCC(Nc2ncc3cc(C#N)c(=O)n([C@H]4C[C@H]5CC[C@@H]4C5)c3n2)CC1.CS(=O)c1ncc2cc(C#N)c(=O)n([C@H]3C[C@@H]4CC[C@H]3C4)c2n1.CSc1ncc(C(=O)O)c(N[C@H]2C[C@@H]3CC[C@H]2C3)n1.CSc1ncc(C=O)c(N[C@H]2C[C@@H]3CC[C@H]2C3)n1.CSc1ncc2cc(C#N)c(=O)n([C@H]3C[C@@H]4CC[C@H]3C4)c2n1.N[C@H]1C[C@@H]2CC[C@H]1C2.

What is the InChIKey of (1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine?

The InChIKey is FSKYIKNOMOGQNZ-DJHSJQRYSA-N. The full InChI is InChI=1S/3C21H26N6O3S.C16H16N4O2S.C16H16N4OS.C15H21N3O2S.C13H17N3O2S.C13H17N3OS.C8H9ClN2O2S.C7H13N.C6H14N2O2S/c3*1-31(29,30)26-6-4-17(5-7-26)24-21-23-12-16-10-15(11-22)20(28)27(19(16)25-21)18-9-13-2-3-14(18)8-13;1-23(22)16-18-8-12-6-11(7-17)15(21)20(14(12)19-16)13-5-9-2-3-10(13)4-9;1-22-16-18-8-12-6-11(7-17)15(21)20(14(12)19-16)13-5-9-2-3-10(13)4-9;1-3-20-14(19)11-8-16-15(21-2)18-13(11)17-12-7-9-4-5-10(12)6-9;1-19-13-14-6-9(12(17)18)11(16-13)15-10-5-7-2-3-8(10)4-7;1-18-13-14-6-10(7-17)12(16-13)15-11-5-8-2-3-9(11)4-8;1-3-13-7(12)5-4-10-8(14-2)11-6(5)9;8-7-4-5-1-2-6(7)3-5;1-11(9,10)8-4-2-6(7)3-5-8/h3*10,12-14,17-18H,2-9H2,1H3,(H,23,24,25);6,8-10,13H,2-5H2,1H3;6,8-10,13H,2-5H2,1H3;8-10,12H,3-7H2,1-2H3,(H,16,17,18);6-8,10H,2-5H2,1H3,(H,17,18)(H,14,15,16);6-9,11H,2-5H2,1H3,(H,14,15,16);4H,3H2,1-2H3;5-7H,1-4,8H2;6H,2-5,7H2,1H3/t2*13-,14+,18+;13-,14+,18-;9-,10+,13+,23?;9-,10+,13+;9-,10+,12+;7-,8+,10+;8-,9+,11+;;5-,6+,7+;/m11011111.1./s1.

What are the key properties of (1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine?

(1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine has a molecular weight of 3340.72 g/mol, XLogP of 20.70, 33 rotatable bonds, 9 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2S,4R)-bicyclo[2.2.1]heptan-2-amine;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carbaldehyde;4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylic acid;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;bis(8-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile);8-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile;ethyl 4-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]amino]-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 167569522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).