tert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane

C106H152BrClN22O22P4S14 — CID 162061889

IUPACtert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane
SMILESCC(C)(C)OC(=O)N1CCCC(C(N)=O)C1.CC(C)(C)OC(=O)N1CCCC(C(N)=S)C1.CC(C)(C)OC(=O)N1CCCC(c2nc(NC(=O)Nc3ccccc3)cs2)C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)C(=O)CBr.CCOC(=O)c1csc(C2CCCN(C(=O)OC(C)(C)C)C2)n1.Clc1ncnc2[nH]ccc12.NC(=O)C1CCCNC1.O=C(Nc1ccccc1)Nc1csc(C2CCCN(c3ncnc4[nH]ccc34)C2)n1.S=PP(P=S)P=S=S=S=S=S=S=S=S
InChIInChI=1S/C21H21N7OS.C20H26N4O3S.C16H24N2O4S.C11H20N2O3.C11H20N2O2S.C10H18O5.C6H4ClN3.C6H12N2O.C5H7BrO3.P4S10/c29-21(25-15-6-2-1-3-7-15)27-17-12-30-20(26-17)14-5-4-10-28(11-14)19-16-8-9-22-18(16)23-13-24-19;1-20(2,3)27-19(26)24-11-7-8-14(12-24)17-22-16(13-28-17)23-18(25)21-15-9-5-4-6-10-15;1-5-21-14(19)12-10-23-13(17-12)11-7-6-8-18(9-11)15(20)22-16(2,3)4;1-11(2,3)16-10(15)13-6-4-5-8(7-13)9(12)14;1-11(2,3)15-10(14)13-6-4-5-8(7-13)9(12)16;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;7-5-4-1-2-8-6(4)10-3-9-5;7-6(9)5-2-1-3-8-4-5;1-2-9-5(8)4(7)3-6;5-1-4(2-6)3-8-10-12-14-13-11-9-7/h1-3,6-9,12-14H,4-5,10-11H2,(H,22,23,24)(H2,25,27,29);4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H2,21,23,25);10-11H,5-9H2,1-4H3;8H,4-7H2,1-3H3,(H2,12,14);8H,4-7H2,1-3H3,(H2,12,16);1-6H3;1-3H,(H,8,9,10);5,8H,1-4H2,(H2,7,9);2-3H2,1H3;
InChIKeyYZYKNZBCVTZLJP-UHFFFAOYSA-N
MW2774.70 g/mol
LogP23.71
Rot. Bonds19

About tert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane

tert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane (PubChem CID 162061889) has the molecular formula C106H152BrClN22O22P4S14 and a molecular weight of 2774.70 g/mol. Its IUPAC name is tert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane.

Molecular Properties

Compound Nametert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane
PubChem CID162061889
Molecular FormulaC106H152BrClN22O22P4S14
Molecular Weight2774.70 g/mol
Exact Mass2770.54
IUPAC Nametert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane
SMILESCC(C)(C)OC(=O)N1CCCC(C(N)=O)C1.CC(C)(C)OC(=O)N1CCCC(C(N)=S)C1.CC(C)(C)OC(=O)N1CCCC(c2nc(NC(=O)Nc3ccccc3)cs2)C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)C(=O)CBr.CCOC(=O)c1csc(C2CCCN(C(=O)OC(C)(C)C)C2)n1.Clc1ncnc2[nH]ccc12.NC(=O)C1CCCNC1.O=C(Nc1ccccc1)Nc1csc(C2CCCN(c3ncnc4[nH]ccc34)C2)n1.S=PP(P=S)P=S=S=S=S=S=S=S=S
InChIInChI=1S/C21H21N7OS.C20H26N4O3S.C16H24N2O4S.C11H20N2O3.C11H20N2O2S.C10H18O5.C6H4ClN3.C6H12N2O.C5H7BrO3.P4S10/c29-21(25-15-6-2-1-3-7-15)27-17-12-30-20(26-17)14-5-4-10-28(11-14)19-16-8-9-22-18(16)23-13-24-19;1-20(2,3)27-19(26)24-11-7-8-14(12-24)17-22-16(13-28-17)23-18(25)21-15-9-5-4-6-10-15;1-5-21-14(19)12-10-23-13(17-12)11-7-6-8-18(9-11)15(20)22-16(2,3)4;1-11(2,3)16-10(15)13-6-4-5-8(7-13)9(12)14;1-11(2,3)15-10(14)13-6-4-5-8(7-13)9(12)16;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;7-5-4-1-2-8-6(4)10-3-9-5;7-6(9)5-2-1-3-8-4-5;1-2-9-5(8)4(7)3-6;5-1-4(2-6)3-8-10-12-14-13-11-9-7/h1-3,6-9,12-14H,4-5,10-11H2,(H,22,23,24)(H2,25,27,29);4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H2,21,23,25);10-11H,5-9H2,1-4H3;8H,4-7H2,1-3H3,(H2,12,14);8H,4-7H2,1-3H3,(H2,12,16);1-6H3;1-3H,(H,8,9,10);5,8H,1-4H2,(H2,7,9);2-3H2,1H3;
InChIKeyYZYKNZBCVTZLJP-UHFFFAOYSA-N
XLogP23.71
TPSA581.20 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds19
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002774.70
LogP ≤ 523.71
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze tert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane with MolForge

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Related Compounds

1H-3,1-benzoxazine-2,4-dione;tert-butyl 3-[3-[[amino(methylsulfanyl)methylidene]amino]phenyl]piperidine-1-carboxylate;tert-butyl 3-(3-aminophenyl)piperidine-1-carboxylate;tert-butyl 3-[3-(carbamothioylamino)phenyl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;di(imidazol-1-yl)methanethione;iodomethane;2-(3-piperidin-3-ylanilino)-3H-quinazolin-4-one
CID 157083541
dipotassium;benzyl N-[3-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]phenyl]carbamate;tert-butyl 3-[3-(phenylmethoxycarbonylamino)phenyl]piperidine-1-carboxylate;4-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;hydride;methanol;3-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]aniline;1-[3-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]phenyl]-3-phenylurea;oxido formate;phenyl N-[3-[1-[7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-3-yl]phenyl]carbamate;1-phenyl-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]urea
CID 161038326
aniline;tert-butyl 3-oxopiperidine-1-carboxylate;tert-butyl 3-[6-(phenylcarbamoylamino)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 5-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;methane;methyl 6-bromopyridine-2-carboxylate;methyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]pyridine-2-carboxylate;1-phenyl-3-[6-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-pyridinyl]urea;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;bis(trifluoromethanesulfinate)
CID 159467033
4-ethyl-2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazole
CID 146084213
tert-butyl (3S)-3-[(2-bromo-1,3-thiazol-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 146365936
1-phenyl-3-[[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]methyl]urea
CID 67986383
2-anilino-3-methyl-2-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]butanamide
CID 140673514
2-(2-chloroanilino)-N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 124564702
lithium;1-O-tert-butyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;(3S)-1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide;(3S)-1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid;(2S)-4-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]-1-prop-2-enoylpiperazine-2-carboxamide;4,7-dichloro-6-(4-chlorophenyl)quinazoline;methyl (3S)-1-[7-chloro-6-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylate;methyl (2S)-piperazine-2-carboxylate;prop-2-enoyl chloride;hydroxide;hydrate;hydrochloride
CID 167594261
1-[2-(2-hydroxypropan-2-yl)phenyl]-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]urea
CID 67986366
1-benzyl-3-[3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]phenyl]urea
CID 67986384
1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;ethyl (3R)-piperidine-3-carboxylate
CID 158843375

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane?
The IUPAC name of tert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane (CID 162061889) is tert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane.
What is the SMILES notation for tert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane?
The canonical SMILES for tert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane is CC(C)(C)OC(=O)N1CCCC(C(N)=O)C1.CC(C)(C)OC(=O)N1CCCC(C(N)=S)C1.CC(C)(C)OC(=O)N1CCCC(c2nc(NC(=O)Nc3ccccc3)cs2)C1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCOC(=O)C(=O)CBr.CCOC(=O)c1csc(C2CCCN(C(=O)OC(C)(C)C)C2)n1.Clc1ncnc2[nH]ccc12.NC(=O)C1CCCNC1.O=C(Nc1ccccc1)Nc1csc(C2CCCN(c3ncnc4[nH]ccc34)C2)n1.S=PP(P=S)P=S=S=S=S=S=S=S=S.
What is the InChIKey of tert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane?
The InChIKey is YZYKNZBCVTZLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7OS.C20H26N4O3S.C16H24N2O4S.C11H20N2O3.C11H20N2O2S.C10H18O5.C6H4ClN3.C6H12N2O.C5H7BrO3.P4S10/c29-21(25-15-6-2-1-3-7-15)27-17-12-30-20(26-17)14-5-4-10-28(11-14)19-16-8-9-22-18(16)23-13-24-19;1-20(2,3)27-19(26)24-11-7-8-14(12-24)17-22-16(13-28-17)23-18(25)21-15-9-5-4-6-10-15;1-5-21-14(19)12-10-23-13(17-12)11-7-6-8-18(9-11)15(20)22-16(2,3)4;1-11(2,3)16-10(15)13-6-4-5-8(7-13)9(12)14;1-11(2,3)15-10(14)13-6-4-5-8(7-13)9(12)16;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;7-5-4-1-2-8-6(4)10-3-9-5;7-6(9)5-2-1-3-8-4-5;1-2-9-5(8)4(7)3-6;5-1-4(2-6)3-8-10-12-14-13-11-9-7/h1-3,6-9,12-14H,4-5,10-11H2,(H,22,23,24)(H2,25,27,29);4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H2,21,23,25);10-11H,5-9H2,1-4H3;8H,4-7H2,1-3H3,(H2,12,14);8H,4-7H2,1-3H3,(H2,12,16);1-6H3;1-3H,(H,8,9,10);5,8H,1-4H2,(H2,7,9);2-3H2,1H3;.
What are the key properties of tert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane?
tert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane has a molecular weight of 2774.70 g/mol, XLogP of 23.71, 19 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-carbamothioylpiperidine-1-carboxylate;tert-butyl 3-carbamoylpiperidine-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl 3-[4-(phenylcarbamoylamino)-1,3-thiazol-2-yl]piperidine-1-carboxylate;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;ethyl 3-bromo-2-oxopropanoate;ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-thiazole-4-carboxylate;1-phenyl-3-[2-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3-thiazol-4-yl]urea;piperidine-3-carboxamide;[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]phosphanyl-dithiophosphorosophosphane is sourced from PubChem (CID 162061889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).