pentasodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]carbamimidate

C118H160N28Na5O17S5+ — CID 167674078

About pentasodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]carbamimidate

pentasodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]carbamimidate (PubChem CID 167674078) has the molecular formula C118H160N28Na5O17S5+ and a molecular weight of 2518.04 g/mol. Its IUPAC name is pentasodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]carbamimidate.

Molecular Properties

• Compound Name: pentasodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]carbamimidate
• PubChem CID: 167674078
• Molecular Formula: C118H160N28Na5O17S5+
• Molecular Weight: 2518.04 g/mol
• Exact Mass: 2516.06
• IUPAC Name: pentasodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]carbamimidate
• SMILES: CC(C)n1cc(N(C2CCN(C)CC2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1.CC(C)n1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.CN1CCC(CN(c2cnn(C)c2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)CC1.CN1CCC(N(c2cnn(C)c2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)CC1.Cn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/C25H36N6O3S.C24H34N6O3S.C24H33N5O4S.C23H32N6O3S.C22H29N5O4S.5Na/c1-17(2)30-16-21(15-26-30)31(20-10-12-29(3)13-11-20)35(33,34)28-25(32)27-24-22-8-4-6-18(22)14-19-7-5-9-23(19)24;1-28-11-9-17(10-12-28)15-30(20-14-25-29(2)16-20)34(32,33)27-24(31)26-23-21-7-3-5-18(21)13-19-6-4-8-22(19)23;1-16(2)28-15-20(14-25-28)29(19-9-11-33-12-10-19)34(31,32)27-24(30)26-23-21-7-3-5-17(21)13-18-6-4-8-22(18)23;1-27-11-9-18(10-12-27)29(19-14-24-28(2)15-19)33(31,32)26-23(30)25-22-20-7-3-5-16(20)13-17-6-4-8-21(17)22;1-26-14-18(13-23-26)27(17-8-10-31-11-9-17)32(29,30)25-22(28)24-21-19-6-2-4-15(19)12-16-5-3-7-20(16)21;;;;;/h14-17,20H,4-13H2,1-3H3,(H2,27,28,32);13-14,16-17H,3-12,15H2,1-2H3,(H2,26,27,31);13-16,19H,3-12H2,1-2H3,(H2,26,27,30);13-15,18H,3-12H2,1-2H3,(H2,25,26,30);12-14,17H,2-11H2,1H3,(H2,24,25,28);;;;;/q;;;;;5*+1/p-4
• InChIKey: VPEBBHWFJPYMKV-UHFFFAOYSA-J
• XLogP: -4.63
• TPSA: 535.11 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2518.04
LogP ≤ 5	-4.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of pentasodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]carbamimidate?

The IUPAC name of pentasodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]carbamimidate (CID 167674078) is pentasodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]carbamimidate.

What is the SMILES notation for pentasodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]carbamimidate?

The canonical SMILES for pentasodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]carbamimidate is CC(C)n1cc(N(C2CCN(C)CC2)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1.CC(C)n1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.CN1CCC(CN(c2cnn(C)c2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)CC1.CN1CCC(N(c2cnn(C)c2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)CC1.Cn1cc(N(C2CCOCC2)S(=O)(=O)N=C([O-])Nc2c3c(cc4c2CCC4)CCC3)cn1.[Na+].[Na+].[Na+].[Na+].[Na+].

What is the InChIKey of pentasodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]carbamimidate?

The InChIKey is VPEBBHWFJPYMKV-UHFFFAOYSA-J. The full InChI is InChI=1S/C25H36N6O3S.C24H34N6O3S.C24H33N5O4S.C23H32N6O3S.C22H29N5O4S.5Na/c1-17(2)30-16-21(15-26-30)31(20-10-12-29(3)13-11-20)35(33,34)28-25(32)27-24-22-8-4-6-18(22)14-19-7-5-9-23(19)24;1-28-11-9-17(10-12-28)15-30(20-14-25-29(2)16-20)34(32,33)27-24(31)26-23-21-7-3-5-18(21)13-19-6-4-8-22(19)23;1-16(2)28-15-20(14-25-28)29(19-9-11-33-12-10-19)34(31,32)27-24(30)26-23-21-7-3-5-17(21)13-18-6-4-8-22(18)23;1-27-11-9-18(10-12-27)29(19-14-24-28(2)15-19)33(31,32)26-23(30)25-22-20-7-3-5-16(20)13-17-6-4-8-21(17)22;1-26-14-18(13-23-26)27(17-8-10-31-11-9-17)32(29,30)25-22(28)24-21-19-6-2-4-15(19)12-16-5-3-7-20(16)21;;;;;/h14-17,20H,4-13H2,1-3H3,(H2,27,28,32);13-14,16-17H,3-12,15H2,1-2H3,(H2,26,27,31);13-16,19H,3-12H2,1-2H3,(H2,26,27,30);13-15,18H,3-12H2,1-2H3,(H2,25,26,30);12-14,17H,2-11H2,1H3,(H2,24,25,28);;;;;/q;;;;;5*+1/p-4.

What are the key properties of pentasodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]carbamimidate?

pentasodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]carbamimidate has a molecular weight of 2518.04 g/mol, XLogP of -4.63, 28 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for pentasodium;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)methyl-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpiperidin-4-yl)-(1-methylpyrazol-4-yl)sulfamoyl]carbamimidate;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-4-yl)-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[(1-methylpyrazol-4-yl)-(oxan-4-yl)sulfamoyl]carbamimidate;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N'-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]carbamimidate is sourced from PubChem (CID 167674078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).