tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride

C86H104ClF3N12O14S2 — CID 159309189

IUPACtert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride
SMILESCC(C)(C)OC(=O)N1C[C@@H](n2c3ccccc3c3ccccc32)[C@H](O)[C@@H](N)C1.CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])[C@@H](O)[C@H](n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[C@@H](O)[C@H](n2c3ccccc3c3ccccc32)C1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C29H30F3N3O6S.C22H25N5O3.C22H27N3O3.C7H7ClO2S.C6H15N/c1-28(2,3)41-27(37)34-16-22(33-42(38,39)19-14-12-18(13-15-19)40-29(30,31)32)26(36)25(17-34)35-23-10-6-4-8-20(23)21-9-5-7-11-24(21)35;1-22(2,3)30-21(29)26-12-16(24-25-23)20(28)19(13-26)27-17-10-6-4-8-14(17)15-9-5-7-11-18(15)27;1-22(2,3)28-21(27)24-12-16(23)20(26)19(13-24)25-17-10-6-4-8-14(17)15-9-5-7-11-18(15)25;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3/h4-15,22,25-26,33,36H,16-17H2,1-3H3;4-11,16,19-20,28H,12-13H2,1-3H3;4-11,16,19-20,26H,12-13,23H2,1-3H3;2-5H,1H3;4-6H2,1-3H3/t22-,25+,26+;2*16-,19+,20+;;/m000../s1
InChIKeyLCHVQLGVKCWWQG-YXTUTKNFSA-N
MW1686.43 g/mol
LogP16.36
Rot. Bonds12

About tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride

tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride (PubChem CID 159309189) has the molecular formula C86H104ClF3N12O14S2 and a molecular weight of 1686.43 g/mol. Its IUPAC name is tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Nametert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride
PubChem CID159309189
Molecular FormulaC86H104ClF3N12O14S2
Molecular Weight1686.43 g/mol
Exact Mass1684.69
IUPAC Nametert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride
SMILESCC(C)(C)OC(=O)N1C[C@@H](n2c3ccccc3c3ccccc32)[C@H](O)[C@@H](N)C1.CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])[C@@H](O)[C@H](n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[C@@H](O)[C@H](n2c3ccccc3c3ccccc32)C1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C29H30F3N3O6S.C22H25N5O3.C22H27N3O3.C7H7ClO2S.C6H15N/c1-28(2,3)41-27(37)34-16-22(33-42(38,39)19-14-12-18(13-15-19)40-29(30,31)32)26(36)25(17-34)35-23-10-6-4-8-20(23)21-9-5-7-11-24(21)35;1-22(2,3)30-21(29)26-12-16(24-25-23)20(28)19(13-26)27-17-10-6-4-8-14(17)15-9-5-7-11-18(15)27;1-22(2,3)28-21(27)24-12-16(23)20(26)19(13-24)25-17-10-6-4-8-14(17)15-9-5-7-11-18(15)25;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3/h4-15,22,25-26,33,36H,16-17H2,1-3H3;4-11,16,19-20,28H,12-13H2,1-3H3;4-11,16,19-20,26H,12-13,23H2,1-3H3;2-5H,1H3;4-6H2,1-3H3/t22-,25+,26+;2*16-,19+,20+;;/m000../s1
InChIKeyLCHVQLGVKCWWQG-YXTUTKNFSA-N
XLogP16.36
TPSA331.66 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001686.43
LogP ≤ 516.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-3-[4-[[(2R)-3-carbazol-9-yl-2-hydroxycyclohexyl]amino]carbazol-9-yl]-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 124196852
tert-butyl (5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 126673512
N-(1-tert-butyl-5-carbazol-9-yl-4-hydroxypiperidin-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 126673524
3-(3,6-Difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid
CID 126673565
3-Carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylic acid
CID 126673567
tert-butyl (5R)-3-(3,6-difluorocarbazol-9-yl)-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 126673612
N-[(3S,4S,5R)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126673618
tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 126673619
tert-butyl (3S,4R,5R)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 126693699
N-[(3R,4R,5S)-5-carbazol-9-yl-4-hydroxypiperidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126693704
Tert-butyl 3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 126693707
Tert-butyl 3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfinylamino]piperidine-1-carboxylate
CID 126693847

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride?
The IUPAC name of tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride (CID 159309189) is tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride.
What is the SMILES notation for tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride?
The canonical SMILES for tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride is CC(C)(C)OC(=O)N1C[C@@H](n2c3ccccc3c3ccccc32)[C@H](O)[C@@H](N)C1.CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])[C@@H](O)[C@H](n2c3ccccc3c3ccccc32)C1.CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)[C@@H](O)[C@H](n2c3ccccc3c3ccccc32)C1.CCN(CC)CC.Cc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride?
The InChIKey is LCHVQLGVKCWWQG-YXTUTKNFSA-N. The full InChI is InChI=1S/C29H30F3N3O6S.C22H25N5O3.C22H27N3O3.C7H7ClO2S.C6H15N/c1-28(2,3)41-27(37)34-16-22(33-42(38,39)19-14-12-18(13-15-19)40-29(30,31)32)26(36)25(17-34)35-23-10-6-4-8-20(23)21-9-5-7-11-24(21)35;1-22(2,3)30-21(29)26-12-16(24-25-23)20(28)19(13-26)27-17-10-6-4-8-14(17)15-9-5-7-11-18(15)27;1-22(2,3)28-21(27)24-12-16(23)20(26)19(13-24)25-17-10-6-4-8-14(17)15-9-5-7-11-18(15)25;1-6-2-4-7(5-3-6)11(8,9)10;1-4-7(5-2)6-3/h4-15,22,25-26,33,36H,16-17H2,1-3H3;4-11,16,19-20,28H,12-13H2,1-3H3;4-11,16,19-20,26H,12-13,23H2,1-3H3;2-5H,1H3;4-6H2,1-3H3/t22-,25+,26+;2*16-,19+,20+;;/m000../s1.
What are the key properties of tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride?
tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride has a molecular weight of 1686.43 g/mol, XLogP of 16.36, 12 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R,5R)-3-amino-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S,5R)-3-azido-5-carbazol-9-yl-4-hydroxypiperidine-1-carboxylate;tert-butyl (3R,4S,5S)-3-carbazol-9-yl-4-hydroxy-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-1-carboxylate;N,N-diethylethanamine;4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 159309189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).