5-chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-3-phenylsulfanyl-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-pyridin-2-ylpiperazine

C172H213Cl3N22OS6 — CID 159047457

About 5-chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-3-phenylsulfanyl-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-pyridin-2-ylpiperazine

5-chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-3-phenylsulfanyl-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-pyridin-2-ylpiperazine (PubChem CID 159047457) has the molecular formula C172H213Cl3N22OS6 and a molecular weight of 2903.51 g/mol. Its IUPAC name is 5-chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-3-phenylsulfanyl-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-pyridin-2-ylpiperazine.

Molecular Properties

• Compound Name: 5-chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-3-phenylsulfanyl-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-pyridin-2-ylpiperazine
• PubChem CID: 159047457
• Molecular Formula: C172H213Cl3N22OS6
• Molecular Weight: 2903.51 g/mol
• Exact Mass: 2899.47
• IUPAC Name: 5-chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-3-phenylsulfanyl-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-pyridin-2-ylpiperazine
• SMILES: CC(C)N1CCN(c2ccccc2)CC1.CC(C)N1CCN(c2ccccn2)CC1.CC(C)N1CCN(c2ncccn2)CC1.CC(C)N1CCOCC1.CC(C)n1cc(Sc2ccccc2)c2cc(Cl)ccc21.CC(C)n1cc(Sc2ccccc2)c2ccccc21.CC(C)n1ccc2cc(Cl)ccc21.CC(C)n1ccc2ccccc21.Cc1ccc2c(c1)c(Sc1ccccc1)cn2C(C)C.Cc1ccc2c(ccn2C(C)C)c1.[C-]#[N+]CCSc1cn(C(C)C)c2ccc(C)cc12.[C-]#[N+]CCSc1cn(C(C)C)c2ccc(Cl)cc12.[C-]#[N+]CCSc1cn(C(C)C)c2ccccc12
• InChI: InChI=1S/C18H19NS.C17H16ClNS.C17H17NS.C15H18N2S.C14H15ClN2S.C14H16N2S.C13H20N2.C12H19N3.C12H15N.C11H12ClN.C11H18N4.C11H13N.C7H15NO/c1-13(2)19-12-18(20-15-7-5-4-6-8-15)16-11-14(3)9-10-17(16)19;1-12(2)19-11-17(20-14-6-4-3-5-7-14)15-10-13(18)8-9-16(15)19;1-13(2)18-12-17(15-10-6-7-11-16(15)18)19-14-8-4-3-5-9-14;1-11(2)17-10-15(18-8-7-16-4)13-9-12(3)5-6-14(13)17;1-10(2)17-9-14(18-7-6-16-3)12-8-11(15)4-5-13(12)17;1-11(2)16-10-14(17-9-8-15-3)12-6-4-5-7-13(12)16;1-12(2)14-8-10-15(11-9-14)13-6-4-3-5-7-13;1-11(2)14-7-9-15(10-8-14)12-5-3-4-6-13-12;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-8(2)13-6-5-9-7-10(12)3-4-11(9)13;1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)8-3-5-9-6-4-8/h4-13H,1-3H3;3-12H,1-2H3;3-13H,1-2H3;5-6,9-11H,7-8H2,1-3H3;4-5,8-10H,6-7H2,1-2H3;4-7,10-11H,8-9H2,1-2H3;3-7,12H,8-11H2,1-2H3;3-6,11H,7-10H2,1-2H3;4-9H,1-3H3;3-8H,1-2H3;3-5,10H,6-9H2,1-2H3;3-9H,1-2H3;7H,3-6H2,1-2H3
• InChIKey: JWVJEJRWBMJTJR-UHFFFAOYSA-N
• XLogP: 46.94
• TPSA: 128.03 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 31
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2903.51
LogP ≤ 5	46.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-3-phenylsulfanyl-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-pyridin-2-ylpiperazine?

The IUPAC name of 5-chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-3-phenylsulfanyl-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-pyridin-2-ylpiperazine (CID 159047457) is 5-chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-3-phenylsulfanyl-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-pyridin-2-ylpiperazine.

What is the SMILES notation for 5-chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-3-phenylsulfanyl-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-pyridin-2-ylpiperazine?

The canonical SMILES for 5-chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-3-phenylsulfanyl-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-pyridin-2-ylpiperazine is CC(C)N1CCN(c2ccccc2)CC1.CC(C)N1CCN(c2ccccn2)CC1.CC(C)N1CCN(c2ncccn2)CC1.CC(C)N1CCOCC1.CC(C)n1cc(Sc2ccccc2)c2cc(Cl)ccc21.CC(C)n1cc(Sc2ccccc2)c2ccccc21.CC(C)n1ccc2cc(Cl)ccc21.CC(C)n1ccc2ccccc21.Cc1ccc2c(c1)c(Sc1ccccc1)cn2C(C)C.Cc1ccc2c(ccn2C(C)C)c1.[C-]#[N+]CCSc1cn(C(C)C)c2ccc(C)cc12.[C-]#[N+]CCSc1cn(C(C)C)c2ccc(Cl)cc12.[C-]#[N+]CCSc1cn(C(C)C)c2ccccc12.

What is the InChIKey of 5-chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-3-phenylsulfanyl-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-pyridin-2-ylpiperazine?

The InChIKey is JWVJEJRWBMJTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS.C17H16ClNS.C17H17NS.C15H18N2S.C14H15ClN2S.C14H16N2S.C13H20N2.C12H19N3.C12H15N.C11H12ClN.C11H18N4.C11H13N.C7H15NO/c1-13(2)19-12-18(20-15-7-5-4-6-8-15)16-11-14(3)9-10-17(16)19;1-12(2)19-11-17(20-14-6-4-3-5-7-14)15-10-13(18)8-9-16(15)19;1-13(2)18-12-17(15-10-6-7-11-16(15)18)19-14-8-4-3-5-9-14;1-11(2)17-10-15(18-8-7-16-4)13-9-12(3)5-6-14(13)17;1-10(2)17-9-14(18-7-6-16-3)12-8-11(15)4-5-13(12)17;1-11(2)16-10-14(17-9-8-15-3)12-6-4-5-7-13(12)16;1-12(2)14-8-10-15(11-9-14)13-6-4-3-5-7-13;1-11(2)14-7-9-15(10-8-14)12-5-3-4-6-13-12;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-8(2)13-6-5-9-7-10(12)3-4-11(9)13;1-10(2)14-6-8-15(9-7-14)11-12-4-3-5-13-11;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)8-3-5-9-6-4-8/h4-13H,1-3H3;3-12H,1-2H3;3-13H,1-2H3;5-6,9-11H,7-8H2,1-3H3;4-5,8-10H,6-7H2,1-2H3;4-7,10-11H,8-9H2,1-2H3;3-7,12H,8-11H2,1-2H3;3-6,11H,7-10H2,1-2H3;4-9H,1-3H3;3-8H,1-2H3;3-5,10H,6-9H2,1-2H3;3-9H,1-2H3;7H,3-6H2,1-2H3.

What are the key properties of 5-chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-3-phenylsulfanyl-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-pyridin-2-ylpiperazine?

5-chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-3-phenylsulfanyl-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-pyridin-2-ylpiperazine has a molecular weight of 2903.51 g/mol, XLogP of 46.94, 31 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-3-phenylsulfanyl-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;2-(4-propan-2-ylpiperazin-1-yl)pyrimidine;1-propan-2-yl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 159047457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).