trisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol

C147H199N34Na3O31S5 — CID 164959122

IUPACtrisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol
SMILESCN(CC=O)C(=O)OCc1ccccc1.CN(CCCc1cnn(C)c1)C(=O)OCc1ccccc1.CN(CCN(c1cnn(C)c1)S(=O)(=O)N=C([O-])Nc1c2c(cc3c1CCC3)CCC2)C(=O)OCc1ccccc1.CN(CCN(c1cnn(C)c1)S(=O)(=O)N=C([O-])Nc1c2c(cc3c1CCC3)CCC2)C1COC1.CN(CCN(c1cnn(C)c1)S(=O)(=O)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1.CN(CCN(c1cnn(C)c1)S(N)(=O)=O)C(=O)OCc1ccccc1.CN(CCO)C(=O)OCc1ccccc1.CNCCN(c1cnn(C)c1)S(=O)(=O)N=C([O-])Nc1c2c(cc3c1CCC3)CCC2.CNCCO.[Na+].[Na+].[Na+]
InChIInChI=1S/C28H34N6O5S.C23H32N6O4S.C20H28N6O3S.C20H29N5O6S.C16H21N3O2.C15H21N5O4S.C11H15NO3.C11H13NO3.C3H9NO.3Na/c1-32(28(36)39-19-20-8-4-3-5-9-20)14-15-34(23-17-29-33(2)18-23)40(37,38)31-27(35)30-26-24-12-6-10-21(24)16-22-11-7-13-25(22)26;1-27(19-14-33-15-19)9-10-29(18-12-24-28(2)13-18)34(31,32)26-23(30)25-22-20-7-3-5-16(20)11-17-6-4-8-21(17)22;1-21-9-10-26(16-12-22-25(2)13-16)30(28,29)24-20(27)23-19-17-7-3-5-14(17)11-15-6-4-8-18(15)19;1-20(2,3)31-18(26)22-32(28,29)25(17-13-21-24(5)14-17)12-11-23(4)19(27)30-15-16-9-7-6-8-10-16;1-18(10-6-9-15-11-17-19(2)12-15)16(20)21-13-14-7-4-3-5-8-14;1-18(15(21)24-12-13-6-4-3-5-7-13)8-9-20(25(16,22)23)14-10-17-19(2)11-14;2*1-12(7-8-13)11(14)15-9-10-5-3-2-4-6-10;1-4-2-3-5;;;/h3-5,8-9,16-18H,6-7,10-15,19H2,1-2H3,(H2,30,31,35);11-13,19H,3-10,14-15H2,1-2H3,(H2,25,26,30);11-13,21H,3-10H2,1-2H3,(H2,23,24,27);6-10,13-14H,11-12,15H2,1-5H3,(H,22,26);3-5,7-8,11-12H,6,9-10,13H2,1-2H3;3-7,10-11H,8-9,12H2,1-2H3,(H2,16,22,23);2-6,13H,7-9H2,1H3;2-6,8H,7,9H2,1H3;4-5H,2-3H2,1H3;;;/q;;;;;;;;;3*+1/p-3
InChIKeyWNIWDFUZYJOGJD-UHFFFAOYSA-K
MW3167.72 g/mol
LogP2.15
Rot. Bonds55

About trisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol

trisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol (PubChem CID 164959122) has the molecular formula C147H199N34Na3O31S5 and a molecular weight of 3167.72 g/mol. Its IUPAC name is trisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol.

Molecular Properties

Compound Nametrisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol
PubChem CID164959122
Molecular FormulaC147H199N34Na3O31S5
Molecular Weight3167.72 g/mol
Exact Mass3165.33
IUPAC Nametrisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol
SMILESCN(CC=O)C(=O)OCc1ccccc1.CN(CCCc1cnn(C)c1)C(=O)OCc1ccccc1.CN(CCN(c1cnn(C)c1)S(=O)(=O)N=C([O-])Nc1c2c(cc3c1CCC3)CCC2)C(=O)OCc1ccccc1.CN(CCN(c1cnn(C)c1)S(=O)(=O)N=C([O-])Nc1c2c(cc3c1CCC3)CCC2)C1COC1.CN(CCN(c1cnn(C)c1)S(=O)(=O)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1.CN(CCN(c1cnn(C)c1)S(N)(=O)=O)C(=O)OCc1ccccc1.CN(CCO)C(=O)OCc1ccccc1.CNCCN(c1cnn(C)c1)S(=O)(=O)N=C([O-])Nc1c2c(cc3c1CCC3)CCC2.CNCCO.[Na+].[Na+].[Na+]
InChIInChI=1S/C28H34N6O5S.C23H32N6O4S.C20H28N6O3S.C20H29N5O6S.C16H21N3O2.C15H21N5O4S.C11H15NO3.C11H13NO3.C3H9NO.3Na/c1-32(28(36)39-19-20-8-4-3-5-9-20)14-15-34(23-17-29-33(2)18-23)40(37,38)31-27(35)30-26-24-12-6-10-21(24)16-22-11-7-13-25(22)26;1-27(19-14-33-15-19)9-10-29(18-12-24-28(2)13-18)34(31,32)26-23(30)25-22-20-7-3-5-16(20)11-17-6-4-8-21(17)22;1-21-9-10-26(16-12-22-25(2)13-16)30(28,29)24-20(27)23-19-17-7-3-5-14(17)11-15-6-4-8-18(15)19;1-20(2,3)31-18(26)22-32(28,29)25(17-13-21-24(5)14-17)12-11-23(4)19(27)30-15-16-9-7-6-8-10-16;1-18(10-6-9-15-11-17-19(2)12-15)16(20)21-13-14-7-4-3-5-8-14;1-18(15(21)24-12-13-6-4-3-5-7-13)8-9-20(25(16,22)23)14-10-17-19(2)11-14;2*1-12(7-8-13)11(14)15-9-10-5-3-2-4-6-10;1-4-2-3-5;;;/h3-5,8-9,16-18H,6-7,10-15,19H2,1-2H3,(H2,30,31,35);11-13,19H,3-10,14-15H2,1-2H3,(H2,25,26,30);11-13,21H,3-10H2,1-2H3,(H2,23,24,27);6-10,13-14H,11-12,15H2,1-5H3,(H,22,26);3-5,7-8,11-12H,6,9-10,13H2,1-2H3;3-7,10-11H,8-9,12H2,1-2H3,(H2,16,22,23);2-6,13H,7-9H2,1H3;2-6,8H,7,9H2,1H3;4-5H,2-3H2,1H3;;;/q;;;;;;;;;3*+1/p-3
InChIKeyWNIWDFUZYJOGJD-UHFFFAOYSA-K
XLogP2.15
TPSA771.82 Ų
H-Bond Donors9
H-Bond Acceptors46
Rotatable Bonds55
Heavy Atoms220
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003167.72
LogP ≤ 52.15
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze trisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of trisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol?
The IUPAC name of trisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol (CID 164959122) is trisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol.
What is the SMILES notation for trisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol?
The canonical SMILES for trisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol is CN(CC=O)C(=O)OCc1ccccc1.CN(CCCc1cnn(C)c1)C(=O)OCc1ccccc1.CN(CCN(c1cnn(C)c1)S(=O)(=O)N=C([O-])Nc1c2c(cc3c1CCC3)CCC2)C(=O)OCc1ccccc1.CN(CCN(c1cnn(C)c1)S(=O)(=O)N=C([O-])Nc1c2c(cc3c1CCC3)CCC2)C1COC1.CN(CCN(c1cnn(C)c1)S(=O)(=O)NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1.CN(CCN(c1cnn(C)c1)S(N)(=O)=O)C(=O)OCc1ccccc1.CN(CCO)C(=O)OCc1ccccc1.CNCCN(c1cnn(C)c1)S(=O)(=O)N=C([O-])Nc1c2c(cc3c1CCC3)CCC2.CNCCO.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol?
The InChIKey is WNIWDFUZYJOGJD-UHFFFAOYSA-K. The full InChI is InChI=1S/C28H34N6O5S.C23H32N6O4S.C20H28N6O3S.C20H29N5O6S.C16H21N3O2.C15H21N5O4S.C11H15NO3.C11H13NO3.C3H9NO.3Na/c1-32(28(36)39-19-20-8-4-3-5-9-20)14-15-34(23-17-29-33(2)18-23)40(37,38)31-27(35)30-26-24-12-6-10-21(24)16-22-11-7-13-25(22)26;1-27(19-14-33-15-19)9-10-29(18-12-24-28(2)13-18)34(31,32)26-23(30)25-22-20-7-3-5-16(20)11-17-6-4-8-21(17)22;1-21-9-10-26(16-12-22-25(2)13-16)30(28,29)24-20(27)23-19-17-7-3-5-14(17)11-15-6-4-8-18(15)19;1-20(2,3)31-18(26)22-32(28,29)25(17-13-21-24(5)14-17)12-11-23(4)19(27)30-15-16-9-7-6-8-10-16;1-18(10-6-9-15-11-17-19(2)12-15)16(20)21-13-14-7-4-3-5-8-14;1-18(15(21)24-12-13-6-4-3-5-7-13)8-9-20(25(16,22)23)14-10-17-19(2)11-14;2*1-12(7-8-13)11(14)15-9-10-5-3-2-4-6-10;1-4-2-3-5;;;/h3-5,8-9,16-18H,6-7,10-15,19H2,1-2H3,(H2,30,31,35);11-13,19H,3-10,14-15H2,1-2H3,(H2,25,26,30);11-13,21H,3-10H2,1-2H3,(H2,23,24,27);6-10,13-14H,11-12,15H2,1-5H3,(H,22,26);3-5,7-8,11-12H,6,9-10,13H2,1-2H3;3-7,10-11H,8-9,12H2,1-2H3,(H2,16,22,23);2-6,13H,7-9H2,1H3;2-6,8H,7,9H2,1H3;4-5H,2-3H2,1H3;;;/q;;;;;;;;;3*+1/p-3.
What are the key properties of trisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol?
trisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol has a molecular weight of 3167.72 g/mol, XLogP of 2.15, 55 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;benzyl N-(2-hydroxyethyl)-N-methylcarbamate;benzyl N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl-(1-methylpyrazol-4-yl)amino]ethyl]carbamate;benzyl N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]carbamate;benzyl N-methyl-N-[2-[(1-methylpyrazol-4-yl)-sulfamoylamino]ethyl]carbamate;benzyl N-methyl-N-(2-oxoethyl)carbamate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-(methylamino)ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(oxetan-3-yl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[2-[methyl(phenylmethoxycarbonyl)amino]ethyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;2-(methylamino)ethanol is sourced from PubChem (CID 164959122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).