9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine

C86H128N42O10S5 — CID 159339736

About 9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine

9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine (PubChem CID 159339736) has the molecular formula C86H128N42O10S5 and a molecular weight of 2070.59 g/mol. Its IUPAC name is 9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine.

Molecular Properties

• Compound Name: 9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine
• PubChem CID: 159339736
• Molecular Formula: C86H128N42O10S5
• Molecular Weight: 2070.59 g/mol
• Exact Mass: 2068.94
• IUPAC Name: 9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine
• SMILES: Cc1ccc(C2CCC(N=C(N)N)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC(N=C(N)N)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.[H]/N=C(\N)N1CCC(C2CCC(c3ccc(C)c(S(N)(=O)=O)c3-c3nn[nH]n3)CC2)CC1.[H]/N=C(\N)N1CCC2(CC1)CCN(c1ccc(C)c(S(N)(=O)=O)c1-c1nn[nH]n1)CC2.[H]/N=C(\N)N1CCC2(CCC(c3ccc(C)c(S(N)(=O)=O)c3-c3nn[nH]n3)CC2)CC1
• InChI: InChI=1S/C20H30N8O2S.C19H28N8O2S.C18H27N9O2S.C15H22N8O2S.C14H21N9O2S/c1-12-2-7-16(17(18(12)31(23,29)30)19-24-26-27-25-19)15-5-3-13(4-6-15)14-8-10-28(11-9-14)20(21)22;1-12-2-3-14(15(16(12)30(22,28)29)17-23-25-26-24-17)13-4-6-19(7-5-13)8-10-27(11-9-19)18(20)21;1-12-2-3-13(14(15(12)30(21,28)29)16-22-24-25-23-16)26-8-4-18(5-9-26)6-10-27(11-7-18)17(19)20;1-8-2-7-11(9-3-5-10(6-4-9)19-15(16)17)12(13(8)26(18,24)25)14-20-22-23-21-14;1-8-2-3-10(23-6-4-9(5-7-23)18-14(15)16)11(12(8)26(17,24)25)13-19-21-22-20-13/h2,7,13-15H,3-6,8-11H2,1H3,(H3,21,22)(H2,23,29,30)(H,24,25,26,27);2-3,13H,4-11H2,1H3,(H3,20,21)(H2,22,28,29)(H,23,24,25,26);2-3H,4-11H2,1H3,(H3,19,20)(H2,21,28,29)(H,22,23,24,25);2,7,9-10H,3-6H2,1H3,(H4,16,17,19)(H2,18,24,25)(H,20,21,22,23);2-3,9H,4-7H2,1H3,(H4,15,16,18)(H2,17,24,25)(H,19,20,21,22)
• InChIKey: LFZIRNOJVVMXLS-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 867.71 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 32
• Rotatable Bonds: 18
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.59
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	32

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 9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine?

The IUPAC name of 9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine (CID 159339736) is 9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine.

What is the SMILES notation for 9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine?

The canonical SMILES for 9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine is Cc1ccc(C2CCC(N=C(N)N)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.Cc1ccc(N2CCC(N=C(N)N)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.[H]/N=C(\N)N1CCC(C2CCC(c3ccc(C)c(S(N)(=O)=O)c3-c3nn[nH]n3)CC2)CC1.[H]/N=C(\N)N1CCC2(CC1)CCN(c1ccc(C)c(S(N)(=O)=O)c1-c1nn[nH]n1)CC2.[H]/N=C(\N)N1CCC2(CCC(c3ccc(C)c(S(N)(=O)=O)c3-c3nn[nH]n3)CC2)CC1.

What is the InChIKey of 9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine?

The InChIKey is LFZIRNOJVVMXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N8O2S.C19H28N8O2S.C18H27N9O2S.C15H22N8O2S.C14H21N9O2S/c1-12-2-7-16(17(18(12)31(23,29)30)19-24-26-27-25-19)15-5-3-13(4-6-15)14-8-10-28(11-9-14)20(21)22;1-12-2-3-14(15(16(12)30(22,28)29)17-23-25-26-24-17)13-4-6-19(7-5-13)8-10-27(11-9-19)18(20)21;1-12-2-3-13(14(15(12)30(21,28)29)16-22-24-25-23-16)26-8-4-18(5-9-26)6-10-27(11-7-18)17(19)20;1-8-2-7-11(9-3-5-10(6-4-9)19-15(16)17)12(13(8)26(18,24)25)14-20-22-23-21-14;1-8-2-3-10(23-6-4-9(5-7-23)18-14(15)16)11(12(8)26(17,24)25)13-19-21-22-20-13/h2,7,13-15H,3-6,8-11H2,1H3,(H3,21,22)(H2,23,29,30)(H,24,25,26,27);2-3,13H,4-11H2,1H3,(H3,20,21)(H2,22,28,29)(H,23,24,25,26);2-3H,4-11H2,1H3,(H3,19,20)(H2,21,28,29)(H,22,23,24,25);2,7,9-10H,3-6H2,1H3,(H4,16,17,19)(H2,18,24,25)(H,20,21,22,23);2-3,9H,4-7H2,1H3,(H4,15,16,18)(H2,17,24,25)(H,19,20,21,22).

What are the key properties of 9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine?

9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine has a molecular weight of 2070.59 g/mol, XLogP of 2.74, 18 rotatable bonds, 20 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3-azaspiro[5.5]undecane-3-carboximidamide;2-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]guanidine;4-[4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexyl]piperidine-1-carboximidamide;9-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]-3,9-diazaspiro[5.5]undecane-3-carboximidamide;2-[1-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidin-4-yl]guanidine is sourced from PubChem (CID 159339736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).