5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine

C140H204ClN15O4S4 — CID 162009576

IUPAC5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)N1CCN(c2ccccc2)CC1.CC(C)N1CCN(c2ccccn2)CC1.CC(C)N1CCOCC1.CC(C)n1cc(Sc2ccccc2)c2ccccc21.CC(C)n1ccc2cc(Cl)ccc21.CC(C)n1ccc2ccccc21.COc1ccc2c(c1)c(Sc1ccccc1)cn2C(C)C.COc1ccc2c(ccn2C(C)C)c1.[C-]#[N+]CCSc1cn(C(C)C)c2ccc(OC)cc12.[C-]#[N+]CCSc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C18H19NOS.C17H17NS.C15H18N2OS.C14H16N2S.C13H20N2.C12H19N3.C12H15NO.C11H12ClN.C11H13N.C7H15NO.10CH4/c1-13(2)19-12-18(21-15-7-5-4-6-8-15)16-11-14(20-3)9-10-17(16)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(19-8-7-16-3)13-9-12(18-4)5-6-14(13)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)13-7-6-10-8-11(14-3)4-5-12(10)13;1-8(2)13-6-5-9-7-10(12)3-4-11(9)13;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;3-13H,1-2H3;5-6,9-11H,7-8H2,1-2,4H3;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;3-9H,1-2H3;7H,3-6H2,1-2H3;10*1H4
InChIKeyYTHFHQOHLAJUBF-UHFFFAOYSA-N
MW2324.99 g/mol
LogP40.48
Rot. Bonds25

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

5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine (PubChem CID 162009576) has the molecular formula C140H204ClN15O4S4 and a molecular weight of 2324.99 g/mol. Its IUPAC name is 5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine
PubChem CID162009576
Molecular FormulaC140H204ClN15O4S4
Molecular Weight2324.99 g/mol
Exact Mass2322.48
IUPAC Name5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine
SMILESC.C.C.C.C.C.C.C.C.C.CC(C)N1CCN(c2ccccc2)CC1.CC(C)N1CCN(c2ccccn2)CC1.CC(C)N1CCOCC1.CC(C)n1cc(Sc2ccccc2)c2ccccc21.CC(C)n1ccc2cc(Cl)ccc21.CC(C)n1ccc2ccccc21.COc1ccc2c(c1)c(Sc1ccccc1)cn2C(C)C.COc1ccc2c(ccn2C(C)C)c1.[C-]#[N+]CCSc1cn(C(C)C)c2ccc(OC)cc12.[C-]#[N+]CCSc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C18H19NOS.C17H17NS.C15H18N2OS.C14H16N2S.C13H20N2.C12H19N3.C12H15NO.C11H12ClN.C11H13N.C7H15NO.10CH4/c1-13(2)19-12-18(21-15-7-5-4-6-8-15)16-11-14(20-3)9-10-17(16)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(19-8-7-16-3)13-9-12(18-4)5-6-14(13)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)13-7-6-10-8-11(14-3)4-5-12(10)13;1-8(2)13-6-5-9-7-10(12)3-4-11(9)13;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;3-13H,1-2H3;5-6,9-11H,7-8H2,1-2,4H3;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;3-9H,1-2H3;7H,3-6H2,1-2H3;10*1H4
InChIKeyYTHFHQOHLAJUBF-UHFFFAOYSA-N
XLogP40.48
TPSA109.24 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002324.99
LogP ≤ 540.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;bis(1-propan-2-yl-4-pyridin-2-ylpiperazine)
CID 157544493
5-Chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine
CID 158843819
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-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-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 159248288
5-Chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine
CID 160428111
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-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine
CID 161879067

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine?
The IUPAC name of 5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine (CID 162009576) is 5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine is C.C.C.C.C.C.C.C.C.C.CC(C)N1CCN(c2ccccc2)CC1.CC(C)N1CCN(c2ccccn2)CC1.CC(C)N1CCOCC1.CC(C)n1cc(Sc2ccccc2)c2ccccc21.CC(C)n1ccc2cc(Cl)ccc21.CC(C)n1ccc2ccccc21.COc1ccc2c(c1)c(Sc1ccccc1)cn2C(C)C.COc1ccc2c(ccn2C(C)C)c1.[C-]#[N+]CCSc1cn(C(C)C)c2ccc(OC)cc12.[C-]#[N+]CCSc1cn(C(C)C)c2ccccc12.
What is the InChIKey of 5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine?
The InChIKey is YTHFHQOHLAJUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS.C17H17NS.C15H18N2OS.C14H16N2S.C13H20N2.C12H19N3.C12H15NO.C11H12ClN.C11H13N.C7H15NO.10CH4/c1-13(2)19-12-18(21-15-7-5-4-6-8-15)16-11-14(20-3)9-10-17(16)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(19-8-7-16-3)13-9-12(18-4)5-6-14(13)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)13-7-6-10-8-11(14-3)4-5-12(10)13;1-8(2)13-6-5-9-7-10(12)3-4-11(9)13;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;3-13H,1-2H3;5-6,9-11H,7-8H2,1-2,4H3;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;3-9H,1-2H3;7H,3-6H2,1-2H3;10*1H4.
What are the key properties of 5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine?
5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine has a molecular weight of 2324.99 g/mol, XLogP of 40.48, 25 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methoxy-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methoxy-3-phenylsulfanyl-1-propan-2-ylindole;5-methoxy-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 162009576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).