2-propan-2-ylsulfonylethanamine;N-(2-propan-2-ylsulfonylethyl)spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid

C44H54N8O7S2 — CID 159222021

About 2-propan-2-ylsulfonylethanamine;N-(2-propan-2-ylsulfonylethyl)spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid

2-propan-2-ylsulfonylethanamine;N-(2-propan-2-ylsulfonylethyl)spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid (PubChem CID 159222021) has the molecular formula C44H54N8O7S2 and a molecular weight of 871.10 g/mol. Its IUPAC name is 2-propan-2-ylsulfonylethanamine;N-(2-propan-2-ylsulfonylethyl)spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid.

Molecular Properties

• Compound Name: 2-propan-2-ylsulfonylethanamine;N-(2-propan-2-ylsulfonylethyl)spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid
• PubChem CID: 159222021
• Molecular Formula: C44H54N8O7S2
• Molecular Weight: 871.10 g/mol
• Exact Mass: 870.36
• IUPAC Name: 2-propan-2-ylsulfonylethanamine;N-(2-propan-2-ylsulfonylethyl)spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid
• SMILES: CC(C)S(=O)(=O)CCN.CC(C)S(=O)(=O)CCNC(=O)c1ccc2[nH]c3c(c2c1)C1(CCC1)Cc1cn[nH]c1-3.O=C(O)c1ccc2[nH]c3c(c2c1)C1(CCC1)Cc1cn[nH]c1-3
• InChI: InChI=1S/C22H26N4O3S.C17H15N3O2.C5H13NO2S/c1-13(2)30(28,29)9-8-23-21(27)14-4-5-17-16(10-14)18-20(25-17)19-15(12-24-26-19)11-22(18)6-3-7-22;21-16(22)9-2-3-12-11(6-9)13-15(19-12)14-10(8-18-20-14)7-17(13)4-1-5-17;1-5(2)9(7,8)4-3-6/h4-5,10,12-13,25H,3,6-9,11H2,1-2H3,(H,23,27)(H,24,26);2-3,6,8,19H,1,4-5,7H2,(H,18,20)(H,21,22);5H,3-4,6H2,1-2H3
• InChIKey: KRUUAQVBNGTPEO-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 249.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	871.10
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonylethanamine;N-(2-propan-2-ylsulfonylethyl)spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid?

The IUPAC name of 2-propan-2-ylsulfonylethanamine;N-(2-propan-2-ylsulfonylethyl)spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid (CID 159222021) is 2-propan-2-ylsulfonylethanamine;N-(2-propan-2-ylsulfonylethyl)spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid.

What is the SMILES notation for 2-propan-2-ylsulfonylethanamine;N-(2-propan-2-ylsulfonylethyl)spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid?

The canonical SMILES for 2-propan-2-ylsulfonylethanamine;N-(2-propan-2-ylsulfonylethyl)spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid is CC(C)S(=O)(=O)CCN.CC(C)S(=O)(=O)CCNC(=O)c1ccc2[nH]c3c(c2c1)C1(CCC1)Cc1cn[nH]c1-3.O=C(O)c1ccc2[nH]c3c(c2c1)C1(CCC1)Cc1cn[nH]c1-3.

What is the InChIKey of 2-propan-2-ylsulfonylethanamine;N-(2-propan-2-ylsulfonylethyl)spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid?

The InChIKey is KRUUAQVBNGTPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S.C17H15N3O2.C5H13NO2S/c1-13(2)30(28,29)9-8-23-21(27)14-4-5-17-16(10-14)18-20(25-17)19-15(12-24-26-19)11-22(18)6-3-7-22;21-16(22)9-2-3-12-11(6-9)13-15(19-12)14-10(8-18-20-14)7-17(13)4-1-5-17;1-5(2)9(7,8)4-3-6/h4-5,10,12-13,25H,3,6-9,11H2,1-2H3,(H,23,27)(H,24,26);2-3,6,8,19H,1,4-5,7H2,(H,18,20)(H,21,22);5H,3-4,6H2,1-2H3.

What are the key properties of 2-propan-2-ylsulfonylethanamine;N-(2-propan-2-ylsulfonylethyl)spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid?

2-propan-2-ylsulfonylethanamine;N-(2-propan-2-ylsulfonylethyl)spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid has a molecular weight of 871.10 g/mol, XLogP of 6.09, 9 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-ylsulfonylethanamine;N-(2-propan-2-ylsulfonylethyl)spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxamide;spiro[4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-5,1'-cyclobutane]-7-carboxylic acid is sourced from PubChem (CID 159222021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).