6-(3-cyano-6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methanethioyl iodide

C46H44F6IN7O4S3 — CID 159483459

About 6-(3-cyano-6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methanethioyl iodide

6-(3-cyano-6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methanethioyl iodide (PubChem CID 159483459) has the molecular formula C46H44F6IN7O4S3 and a molecular weight of 1096.00 g/mol. Its IUPAC name is 6-(3-cyano-6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methanethioyl iodide.

Molecular Properties

• Compound Name: 6-(3-cyano-6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methanethioyl iodide
• PubChem CID: 159483459
• Molecular Formula: C46H44F6IN7O4S3
• Molecular Weight: 1096.00 g/mol
• Exact Mass: 1095.16
• IUPAC Name: 6-(3-cyano-6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methanethioyl iodide
• SMILES: C=CCN([C@@H](C)C(F)(F)F)S(=O)(=O)c1ccc(-c2[nH]c3cc(C4CC4)ccc3c2C#N)nc1.C=CCN([C@@H](C)C(F)(F)F)S(=O)(=O)c1ccc(-c2cc3ccc(C4CC4)cc3[nH]2)nc1.S=CI
• InChI: InChI=1S/C23H21F3N4O2S.C22H22F3N3O2S.CHIS/c1-3-10-30(14(2)23(24,25)26)33(31,32)17-7-9-20(28-13-17)22-19(12-27)18-8-6-16(15-4-5-15)11-21(18)29-22;1-3-10-28(14(2)22(23,24)25)31(29,30)18-8-9-19(26-13-18)21-12-17-7-6-16(15-4-5-15)11-20(17)27-21;2-1-3/h3,6-9,11,13-15,29H,1,4-5,10H2,2H3;3,6-9,11-15,27H,1,4-5,10H2,2H3;1H/t2*14-;/m00./s1
• InChIKey: LXHFOHVZDWWTIG-VJOCCTOCSA-N
• XLogP: 11.72
• TPSA: 155.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1096.00
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methanethioyl iodide?

The IUPAC name of 6-(3-cyano-6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methanethioyl iodide (CID 159483459) is 6-(3-cyano-6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methanethioyl iodide.

What is the SMILES notation for 6-(3-cyano-6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methanethioyl iodide?

The canonical SMILES for 6-(3-cyano-6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methanethioyl iodide is C=CCN([C@@H](C)C(F)(F)F)S(=O)(=O)c1ccc(-c2[nH]c3cc(C4CC4)ccc3c2C#N)nc1.C=CCN([C@@H](C)C(F)(F)F)S(=O)(=O)c1ccc(-c2cc3ccc(C4CC4)cc3[nH]2)nc1.S=CI.

What is the InChIKey of 6-(3-cyano-6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methanethioyl iodide?

The InChIKey is LXHFOHVZDWWTIG-VJOCCTOCSA-N. The full InChI is InChI=1S/C23H21F3N4O2S.C22H22F3N3O2S.CHIS/c1-3-10-30(14(2)23(24,25)26)33(31,32)17-7-9-20(28-13-17)22-19(12-27)18-8-6-16(15-4-5-15)11-21(18)29-22;1-3-10-28(14(2)22(23,24)25)31(29,30)18-8-9-19(26-13-18)21-12-17-7-6-16(15-4-5-15)11-20(17)27-21;2-1-3/h3,6-9,11,13-15,29H,1,4-5,10H2,2H3;3,6-9,11-15,27H,1,4-5,10H2,2H3;1H/t2*14-;/m00./s1.

What are the key properties of 6-(3-cyano-6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methanethioyl iodide?

6-(3-cyano-6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methanethioyl iodide has a molecular weight of 1096.00 g/mol, XLogP of 11.72, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyano-6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(6-cyclopropyl-1H-indol-2-yl)-N-prop-2-enyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;methanethioyl iodide is sourced from PubChem (CID 159483459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).