1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid

C23H27F3N4O7S — CID 155858055

About 1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid

1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155858055) has the molecular formula C23H27F3N4O7S and a molecular weight of 560.55 g/mol. Its IUPAC name is 1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155858055
• Molecular Formula: C23H27F3N4O7S
• Molecular Weight: 560.55 g/mol
• Exact Mass: 560.16
• IUPAC Name: 1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: COc1cccc(NC(=O)C2Cn3ccnc3C3(CCN(S(=O)(=O)C4CC4)CC3)O2)c1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H26N4O5S.C2HF3O2/c1-29-16-4-2-3-15(13-16)23-19(26)18-14-24-12-9-22-20(24)21(30-18)7-10-25(11-8-21)31(27,28)17-5-6-17;3-2(4,5)1(6)7/h2-4,9,12-13,17-18H,5-8,10-11,14H2,1H3,(H,23,26);(H,6,7)
• InChIKey: ZGPAXVJLZOEMLL-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 140.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.55
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (CID 155858055) is 1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is COc1cccc(NC(=O)C2Cn3ccnc3C3(CCN(S(=O)(=O)C4CC4)CC3)O2)c1.O=C(O)C(F)(F)F.

What is the InChIKey of 1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is ZGPAXVJLZOEMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5S.C2HF3O2/c1-29-16-4-2-3-15(13-16)23-19(26)18-14-24-12-9-22-20(24)21(30-18)7-10-25(11-8-21)31(27,28)17-5-6-17;3-2(4,5)1(6)7/h2-4,9,12-13,17-18H,5-8,10-11,14H2,1H3,(H,23,26);(H,6,7).

What are the key properties of 1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?

1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 560.55 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-cyclopropylsulfonyl-N-(3-methoxyphenyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155858055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).