1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide

C14H21N3O2S — CID 59720109

About 1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide

1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide (PubChem CID 59720109) has the molecular formula C14H21N3O2S and a molecular weight of 307.48 g/mol. Its IUPAC name is 1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide.

Molecular Properties

• Compound Name: 1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide
• PubChem CID: 59720109
• Molecular Formula: C14H21N3O2S
• Molecular Weight: 307.48 g/mol
• Exact Mass: 307.21
• IUPAC Name: 1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide
• SMILES: [2H]c1[nH]c2ccc(CS(=O)(=O)NC([2H])([2H])[2H])cc2c1C([2H])([2H])CN(C([2H])([2H])[2H])C([2H])([2H])[2H]
• InChI: InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3/i1D3,2D3,3D3,6D2,9D
• InChIKey: KQKPFRSPSRPDEB-WDUGKGIZSA-N
• XLogP: 1.32
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.48
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide?

The IUPAC name of 1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide (CID 59720109) is 1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide.

What is the SMILES notation for 1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide?

The canonical SMILES for 1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide is [2H]c1[nH]c2ccc(CS(=O)(=O)NC([2H])([2H])[2H])cc2c1C([2H])([2H])CN(C([2H])([2H])[2H])C([2H])([2H])[2H].

What is the InChIKey of 1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide?

The InChIKey is KQKPFRSPSRPDEB-WDUGKGIZSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3/i1D3,2D3,3D3,6D2,9D.

What are the key properties of 1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide?

1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide has a molecular weight of 307.48 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[bis(trideuteriomethyl)amino]-1,1-dideuterioethyl]-2-deuterio-1H-indol-5-yl]-N-(trideuteriomethyl)methanesulfonamide is sourced from PubChem (CID 59720109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).