7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;methyl-methylidene-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]-oxo-λ6-sulfane

C77H97FN10O8S5 — CID 158599366

About 7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;methyl-methylidene-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]-oxo-λ6-sulfane

7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;methyl-methylidene-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]-oxo-λ6-sulfane (PubChem CID 158599366) has the molecular formula C77H97FN10O8S5 and a molecular weight of 1470.02 g/mol. Its IUPAC name is 7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;methyl-methylidene-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]-oxo-λ6-sulfane.

Molecular Properties

• Compound Name: 7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;methyl-methylidene-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]-oxo-λ6-sulfane
• PubChem CID: 158599366
• Molecular Formula: C77H97FN10O8S5
• Molecular Weight: 1470.02 g/mol
• Exact Mass: 1468.61
• IUPAC Name: 7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;methyl-methylidene-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]-oxo-λ6-sulfane
• SMILES: C=S(C)(=O)N1CC=C(c2c[nH]c3cc(C)ccc23)CC1.C=S(C)(=O)N1CC=C(c2cn(C)c3ccccc23)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3cc(C)ccc23)CC1.COc1cccc2[nH]cc(C3=CCN(S(C)(=O)=O)CC3)c12.CS(=O)(=O)N1CCC(c2c[nH]c3c(F)cccc23)CC1
• InChI: InChI=1S/C16H22N2OS.2C16H20N2OS.C15H18N2O3S.C14H17FN2O2S/c2*1-12-4-5-14-15(11-17-16(14)10-12)13-6-8-18(9-7-13)20(2,3)19;1-17-12-15(14-6-4-5-7-16(14)17)13-8-10-18(11-9-13)20(2,3)19;1-20-14-5-3-4-13-15(14)12(10-16-13)11-6-8-17(9-7-11)21(2,18)19;1-20(18,19)17-7-5-10(6-8-17)12-9-16-14-11(12)3-2-4-13(14)15/h4-5,10-11,13,17H,2,6-9H2,1,3H3;4-6,10-11,17H,2,7-9H2,1,3H3;4-8,12H,2,9-11H2,1,3H3;3-6,10,16H,7-9H2,1-2H3;2-4,9-10,16H,5-8H2,1H3
• InChIKey: HVLDEEMOVUCADO-UHFFFAOYSA-N
• XLogP: 12.94
• TPSA: 213.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1470.02
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;methyl-methylidene-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]-oxo-λ6-sulfane?

The IUPAC name of 7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;methyl-methylidene-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]-oxo-λ6-sulfane (CID 158599366) is 7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;methyl-methylidene-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]-oxo-λ6-sulfane.

What is the SMILES notation for 7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;methyl-methylidene-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]-oxo-λ6-sulfane?

The canonical SMILES for 7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;methyl-methylidene-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]-oxo-λ6-sulfane is C=S(C)(=O)N1CC=C(c2c[nH]c3cc(C)ccc23)CC1.C=S(C)(=O)N1CC=C(c2cn(C)c3ccccc23)CC1.C=S(C)(=O)N1CCC(c2c[nH]c3cc(C)ccc23)CC1.COc1cccc2[nH]cc(C3=CCN(S(C)(=O)=O)CC3)c12.CS(=O)(=O)N1CCC(c2c[nH]c3c(F)cccc23)CC1.

What is the InChIKey of 7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;methyl-methylidene-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]-oxo-λ6-sulfane?

The InChIKey is HVLDEEMOVUCADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS.2C16H20N2OS.C15H18N2O3S.C14H17FN2O2S/c2*1-12-4-5-14-15(11-17-16(14)10-12)13-6-8-18(9-7-13)20(2,3)19;1-17-12-15(14-6-4-5-7-16(14)17)13-8-10-18(11-9-13)20(2,3)19;1-20-14-5-3-4-13-15(14)12(10-16-13)11-6-8-17(9-7-11)21(2,18)19;1-20(18,19)17-7-5-10(6-8-17)12-9-16-14-11(12)3-2-4-13(14)15/h4-5,10-11,13,17H,2,6-9H2,1,3H3;4-6,10-11,17H,2,7-9H2,1,3H3;4-8,12H,2,9-11H2,1,3H3;3-6,10,16H,7-9H2,1-2H3;2-4,9-10,16H,5-8H2,1H3.

What are the key properties of 7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;methyl-methylidene-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]-oxo-λ6-sulfane?

7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;methyl-methylidene-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]-oxo-λ6-sulfane has a molecular weight of 1470.02 g/mol, XLogP of 12.94, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;methyl-methylidene-[4-(1-methylindol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-oxo-λ6-sulfane;methyl-methylidene-[4-(6-methyl-1H-indol-3-yl)piperidin-1-yl]-oxo-λ6-sulfane is sourced from PubChem (CID 158599366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).