[(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone

C21H29N3O5S — CID 31006939

About [(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone

[(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 31006939) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is [(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: [(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
• PubChem CID: 31006939
• Molecular Formula: C21H29N3O5S
• Molecular Weight: 435.55 g/mol
• Exact Mass: 435.18
• IUPAC Name: [(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
• SMILES: C[C@H]1Cc2cc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)ccc2N1S(C)(=O)=O
• InChI: InChI=1S/C21H29N3O5S/c1-15-12-18-13-16(5-6-19(18)24(15)30(2,27)28)20(25)23-7-3-4-17(14-23)21(26)22-8-10-29-11-9-22/h5-6,13,15,17H,3-4,7-12,14H2,1-2H3/t15-,17+/m0/s1
• InChIKey: IUFPWMTVGCNBDB-DOTOQJQBSA-N
• XLogP: 1.11
• TPSA: 87.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.55
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?

The IUPAC name of [(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 31006939) is [(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.

What is the SMILES notation for [(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?

The canonical SMILES for [(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is C[C@H]1Cc2cc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)ccc2N1S(C)(=O)=O.

What is the InChIKey of [(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?

The InChIKey is IUFPWMTVGCNBDB-DOTOQJQBSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-15-12-18-13-16(5-6-19(18)24(15)30(2,27)28)20(25)23-7-3-4-17(14-23)21(26)22-8-10-29-11-9-22/h5-6,13,15,17H,3-4,7-12,14H2,1-2H3/t15-,17+/m0/s1.

What are the key properties of [(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?

[(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 435.55 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 31006939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).