4-aminoadamantane-1-carboxamide;2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;hydrochloride

C48H65Cl7N8O9S2 — CID 157092103

About 4-aminoadamantane-1-carboxamide;2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;hydrochloride

4-aminoadamantane-1-carboxamide;2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;hydrochloride (PubChem CID 157092103) has the molecular formula C48H65Cl7N8O9S2 and a molecular weight of 1210.40 g/mol. Its IUPAC name is 4-aminoadamantane-1-carboxamide;2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 4-aminoadamantane-1-carboxamide;2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;hydrochloride
• PubChem CID: 157092103
• Molecular Formula: C48H65Cl7N8O9S2
• Molecular Weight: 1210.40 g/mol
• Exact Mass: 1206.21
• IUPAC Name: 4-aminoadamantane-1-carboxamide;2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;hydrochloride
• SMILES: CC1(C)CN(CC(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)S(=O)(=O)N(c2c(Cl)cc(Cl)cc2Cl)C1.CC1(C)CN(CC(=O)O)S(=O)(=O)N(c2c(Cl)cc(Cl)cc2Cl)C1.Cl.NC(=O)C12CC3CC(C1)C(N)C(C3)C2
• InChI: InChI=1S/C24H31Cl3N4O4S.C13H15Cl3N2O4S.C11H18N2O.ClH/c1-23(2)11-30(36(34,35)31(12-23)21-17(26)5-16(25)6-18(21)27)10-19(32)29-20-14-3-13-4-15(20)9-24(7-13,8-14)22(28)33;1-13(2)6-17(5-11(19)20)23(21,22)18(7-13)12-9(15)3-8(14)4-10(12)16;12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;/h5-6,13-15,20H,3-4,7-12H2,1-2H3,(H2,28,33)(H,29,32);3-4H,5-7H2,1-2H3,(H,19,20);6-9H,1-5,12H2,(H2,13,14);1H
• InChIKey: XAGAEEURTYWBSJ-UHFFFAOYSA-N
• XLogP: 8.01
• TPSA: 259.84 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1210.40
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-aminoadamantane-1-carboxamide;2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;hydrochloride?

The IUPAC name of 4-aminoadamantane-1-carboxamide;2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;hydrochloride (CID 157092103) is 4-aminoadamantane-1-carboxamide;2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;hydrochloride.

What is the SMILES notation for 4-aminoadamantane-1-carboxamide;2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;hydrochloride?

The canonical SMILES for 4-aminoadamantane-1-carboxamide;2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;hydrochloride is CC1(C)CN(CC(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)S(=O)(=O)N(c2c(Cl)cc(Cl)cc2Cl)C1.CC1(C)CN(CC(=O)O)S(=O)(=O)N(c2c(Cl)cc(Cl)cc2Cl)C1.Cl.NC(=O)C12CC3CC(C1)C(N)C(C3)C2.

What is the InChIKey of 4-aminoadamantane-1-carboxamide;2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;hydrochloride?

The InChIKey is XAGAEEURTYWBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl3N4O4S.C13H15Cl3N2O4S.C11H18N2O.ClH/c1-23(2)11-30(36(34,35)31(12-23)21-17(26)5-16(25)6-18(21)27)10-19(32)29-20-14-3-13-4-15(20)9-24(7-13,8-14)22(28)33;1-13(2)6-17(5-11(19)20)23(21,22)18(7-13)12-9(15)3-8(14)4-10(12)16;12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;/h5-6,13-15,20H,3-4,7-12H2,1-2H3,(H2,28,33)(H,29,32);3-4H,5-7H2,1-2H3,(H,19,20);6-9H,1-5,12H2,(H2,13,14);1H.

What are the key properties of 4-aminoadamantane-1-carboxamide;2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;hydrochloride?

4-aminoadamantane-1-carboxamide;2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;hydrochloride has a molecular weight of 1210.40 g/mol, XLogP of 8.01, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminoadamantane-1-carboxamide;2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetic acid;4-[[2-[4,4-dimethyl-1,1-dioxo-6-(2,4,6-trichlorophenyl)-1,2,6-thiadiazinan-2-yl]acetyl]amino]adamantane-1-carboxamide;hydrochloride is sourced from PubChem (CID 157092103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).