N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane

C35H59N7O6S2 — CID 143207959

About N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane

N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane (PubChem CID 143207959) has the molecular formula C35H59N7O6S2 and a molecular weight of 738.03 g/mol. Its IUPAC name is N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane.

Molecular Properties

• Compound Name: N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane
• PubChem CID: 143207959
• Molecular Formula: C35H59N7O6S2
• Molecular Weight: 738.03 g/mol
• Exact Mass: 737.40
• IUPAC Name: N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane
• SMILES: C1CCCCC1.CC.CC(C)(C)C(NC(=O)CNC(=O)c1cnccn1)C(=O)N1CC2(CC1C(=O)NCC(=O)C(N)=O)SCCCS2.CCC
• InChI: InChI=1S/C24H33N7O6S2.C6H12.C3H8.C2H6/c1-23(2,3)18(30-17(33)12-29-20(35)14-10-26-5-6-27-14)22(37)31-13-24(38-7-4-8-39-24)9-15(31)21(36)28-11-16(32)19(25)34;1-2-4-6-5-3-1;1-3-2;1-2/h5-6,10,15,18H,4,7-9,11-13H2,1-3H3,(H2,25,34)(H,28,36)(H,29,35)(H,30,33);1-6H2;3H2,1-2H3;1-2H3
• InChIKey: PCYMPBCGICVIFA-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 193.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	738.03
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane?

The IUPAC name of N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane (CID 143207959) is N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane.

What is the SMILES notation for N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane?

The canonical SMILES for N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane is C1CCCCC1.CC.CC(C)(C)C(NC(=O)CNC(=O)c1cnccn1)C(=O)N1CC2(CC1C(=O)NCC(=O)C(N)=O)SCCCS2.CCC.

What is the InChIKey of N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane?

The InChIKey is PCYMPBCGICVIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O6S2.C6H12.C3H8.C2H6/c1-23(2,3)18(30-17(33)12-29-20(35)14-10-26-5-6-27-14)22(37)31-13-24(38-7-4-8-39-24)9-15(31)21(36)28-11-16(32)19(25)34;1-2-4-6-5-3-1;1-3-2;1-2/h5-6,10,15,18H,4,7-9,11-13H2,1-3H3,(H2,25,34)(H,28,36)(H,29,35)(H,30,33);1-6H2;3H2,1-2H3;1-2H3.

What are the key properties of N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane?

N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane has a molecular weight of 738.03 g/mol, XLogP of 3.86, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-2,3-dioxopropyl)-2-[3,3-dimethyl-2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]butanoyl]-6,10-dithia-2-azaspiro[4.5]decane-3-carboxamide;cyclohexane;ethane;propane is sourced from PubChem (CID 143207959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).