2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate

C67H95N9O22S6 — CID 158381317

IUPAC2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate
SMILESCC(C)(CN)CN.COC(=O)C1N(S(=O)(=O)c2ccc(OC)cc2)CC(C)(C)CN1S(=O)(=O)c1ccc(OC)cc1.COc1ccc(S(=O)(=O)N2CC(C)(C)CN(S(=O)(=O)c3ccc(OC)cc3)C2C(=O)NO)cc1.COc1ccc(S(=O)(=O)NCC(C)(C)CNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H28N2O8S2.C21H27N3O8S2.C19H26N2O6S2.C5H14N2/c1-22(2)14-23(33(26,27)18-10-6-16(30-3)7-11-18)20(21(25)32-5)24(15-22)34(28,29)19-12-8-17(31-4)9-13-19;1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18;1-19(2,13-20-28(22,23)17-9-5-15(26-3)6-10-17)14-21-29(24,25)18-11-7-16(27-4)8-12-18;1-5(2,3-6)4-7/h6-13,20H,14-15H2,1-5H3;5-12,20,26H,13-14H2,1-4H3,(H,22,25);5-12,20-21H,13-14H2,1-4H3;3-4,6-7H2,1-2H3
InChIKeyGVVBQZAADINWMR-UHFFFAOYSA-N
MW1570.94 g/mol
LogP5.10
Rot. Bonds26

About 2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate

2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate (PubChem CID 158381317) has the molecular formula C67H95N9O22S6 and a molecular weight of 1570.94 g/mol. Its IUPAC name is 2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate
PubChem CID158381317
Molecular FormulaC67H95N9O22S6
Molecular Weight1570.94 g/mol
Exact Mass1569.49
IUPAC Name2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate
SMILESCC(C)(CN)CN.COC(=O)C1N(S(=O)(=O)c2ccc(OC)cc2)CC(C)(C)CN1S(=O)(=O)c1ccc(OC)cc1.COc1ccc(S(=O)(=O)N2CC(C)(C)CN(S(=O)(=O)c3ccc(OC)cc3)C2C(=O)NO)cc1.COc1ccc(S(=O)(=O)NCC(C)(C)CNS(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H28N2O8S2.C21H27N3O8S2.C19H26N2O6S2.C5H14N2/c1-22(2)14-23(33(26,27)18-10-6-16(30-3)7-11-18)20(21(25)32-5)24(15-22)34(28,29)19-12-8-17(31-4)9-13-19;1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18;1-19(2,13-20-28(22,23)17-9-5-15(26-3)6-10-17)14-21-29(24,25)18-11-7-16(27-4)8-12-18;1-5(2,3-6)4-7/h6-13,20H,14-15H2,1-5H3;5-12,20,26H,13-14H2,1-4H3,(H,22,25);5-12,20-21H,13-14H2,1-4H3;3-4,6-7H2,1-2H3
InChIKeyGVVBQZAADINWMR-UHFFFAOYSA-N
XLogP5.10
TPSA424.91 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001570.94
LogP ≤ 55.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate?
The IUPAC name of 2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate (CID 158381317) is 2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate.
What is the SMILES notation for 2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate?
The canonical SMILES for 2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate is CC(C)(CN)CN.COC(=O)C1N(S(=O)(=O)c2ccc(OC)cc2)CC(C)(C)CN1S(=O)(=O)c1ccc(OC)cc1.COc1ccc(S(=O)(=O)N2CC(C)(C)CN(S(=O)(=O)c3ccc(OC)cc3)C2C(=O)NO)cc1.COc1ccc(S(=O)(=O)NCC(C)(C)CNS(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate?
The InChIKey is GVVBQZAADINWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O8S2.C21H27N3O8S2.C19H26N2O6S2.C5H14N2/c1-22(2)14-23(33(26,27)18-10-6-16(30-3)7-11-18)20(21(25)32-5)24(15-22)34(28,29)19-12-8-17(31-4)9-13-19;1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18;1-19(2,13-20-28(22,23)17-9-5-15(26-3)6-10-17)14-21-29(24,25)18-11-7-16(27-4)8-12-18;1-5(2,3-6)4-7/h6-13,20H,14-15H2,1-5H3;5-12,20,26H,13-14H2,1-4H3,(H,22,25);5-12,20-21H,13-14H2,1-4H3;3-4,6-7H2,1-2H3.
What are the key properties of 2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate?
2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate has a molecular weight of 1570.94 g/mol, XLogP of 5.10, 26 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane-1,3-diamine;N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide;4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]-2,2-dimethylpropyl]benzenesulfonamide;methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxylate is sourced from PubChem (CID 158381317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).