bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine

C52H67ClN10O6S7 — CID 160730849

IUPACbis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine
SMILESCc1cc(C)cc(Oc2cncc(-c3c(C)nnn3C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1.Cc1cc(C)cc(Oc2cncc(Cl)c2)c1.Cc1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1.S=S=S=S=S=S=S
InChIInChI=1S/C26H33N5O3.C13H12ClNO.C13H22N4O2.S7/c1-17-11-18(2)13-22(12-17)33-23-14-20(15-27-16-23)24-19(3)28-29-31(24)21-7-9-30(10-8-21)25(32)34-26(4,5)6;1-9-3-10(2)5-12(4-9)16-13-6-11(14)7-15-8-13;1-10-9-17(15-14-10)11-5-7-16(8-6-11)12(18)19-13(2,3)4;1-3-5-7-6-4-2/h11-16,21H,7-10H2,1-6H3;3-8H,1-2H3;9,11H,5-8H2,1-4H3;
InChIKeyRUHWXPPOFBJECA-UHFFFAOYSA-N
MW1188.09 g/mol
LogP11.92
Rot. Bonds7

About bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine

bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine (PubChem CID 160730849) has the molecular formula C52H67ClN10O6S7 and a molecular weight of 1188.09 g/mol. Its IUPAC name is bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine.

Molecular Properties

Compound Namebis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine
PubChem CID160730849
Molecular FormulaC52H67ClN10O6S7
Molecular Weight1188.09 g/mol
Exact Mass1186.30
IUPAC Namebis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine
SMILESCc1cc(C)cc(Oc2cncc(-c3c(C)nnn3C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1.Cc1cc(C)cc(Oc2cncc(Cl)c2)c1.Cc1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1.S=S=S=S=S=S=S
InChIInChI=1S/C26H33N5O3.C13H12ClNO.C13H22N4O2.S7/c1-17-11-18(2)13-22(12-17)33-23-14-20(15-27-16-23)24-19(3)28-29-31(24)21-7-9-30(10-8-21)25(32)34-26(4,5)6;1-9-3-10(2)5-12(4-9)16-13-6-11(14)7-15-8-13;1-10-9-17(15-14-10)11-5-7-16(8-6-11)12(18)19-13(2,3)4;1-3-5-7-6-4-2/h11-16,21H,7-10H2,1-6H3;3-8H,1-2H3;9,11H,5-8H2,1-4H3;
InChIKeyRUHWXPPOFBJECA-UHFFFAOYSA-N
XLogP11.92
TPSA164.74 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001188.09
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine 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

tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 145472944
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]triazole-4-carboxylic acid
CID 25219694
tert-butyl 4-[4-[5-[(1R)-1-(4-chlorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 175975727
tert-butyl 4-(4-formyltriazol-1-yl)piperidine-1-carboxylate
CID 73013691
tert-butyl 4-[5-[6-(3,5-dimethylphenoxy)-2-pyridinyl]-4-(4-fluorophenyl)triazol-1-yl]piperidine-1-carboxylate
CID 155352463
tert-butyl 4-[4-methyl-5-[6-[3-methyl-5-(trifluoromethyl)phenoxy]-2-pyridinyl]triazol-1-yl]piperidine-1-carboxylate;2-(5-methyl-3-piperidin-4-yltriazol-4-yl)-6-[3-methyl-5-(trifluoromethyl)phenoxy]pyridine
CID 157446722
tert-butyl 4-(4-methoxycarbonyltriazol-1-yl)piperidine-1-carboxylate
CID 119030830
tert-butyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)triazol-1-yl]piperidine-1-carboxylate
CID 67324522
tert-butyl 4-[4-(3-cyano-5-methylphenyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 172989944
tert-butyl 4-[4-(2-methylpyrimidin-5-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 123325395
2,6-dimethyl-4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 172876934
tert-butyl 4-[4-(6-aminonaphthalen-2-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 172677769

Frequently Asked Questions

What is the IUPAC name of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine?
The IUPAC name of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine (CID 160730849) is bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine.
What is the SMILES notation for bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine?
The canonical SMILES for bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine is Cc1cc(C)cc(Oc2cncc(-c3c(C)nnn3C3CCN(C(=O)OC(C)(C)C)CC3)c2)c1.Cc1cc(C)cc(Oc2cncc(Cl)c2)c1.Cc1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1.S=S=S=S=S=S=S.
What is the InChIKey of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine?
The InChIKey is RUHWXPPOFBJECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3.C13H12ClNO.C13H22N4O2.S7/c1-17-11-18(2)13-22(12-17)33-23-14-20(15-27-16-23)24-19(3)28-29-31(24)21-7-9-30(10-8-21)25(32)34-26(4,5)6;1-9-3-10(2)5-12(4-9)16-13-6-11(14)7-15-8-13;1-10-9-17(15-14-10)11-5-7-16(8-6-11)12(18)19-13(2,3)4;1-3-5-7-6-4-2/h11-16,21H,7-10H2,1-6H3;3-8H,1-2H3;9,11H,5-8H2,1-4H3;.
What are the key properties of bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine?
bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine has a molecular weight of 1188.09 g/mol, XLogP of 11.92, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfane;tert-butyl 4-[5-[5-(3,5-dimethylphenoxy)-3-pyridinyl]-4-methyltriazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-methyltriazol-1-yl)piperidine-1-carboxylate;3-chloro-5-(3,5-dimethylphenoxy)pyridine is sourced from PubChem (CID 160730849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).