1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

C16H18N2O3S3 — CID 8538478

About 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone

1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (PubChem CID 8538478) has the molecular formula C16H18N2O3S3 and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

• Compound Name: 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
• PubChem CID: 8538478
• Molecular Formula: C16H18N2O3S3
• Molecular Weight: 382.53 g/mol
• Exact Mass: 382.05
• IUPAC Name: 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
• SMILES: Cc1csc(SCC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)n1
• InChI: InChI=1S/C16H18N2O3S3/c1-10-8-22-16(17-10)23-9-15(19)12-4-5-14-13(7-12)6-11(2)18(14)24(3,20)21/h4-5,7-8,11H,6,9H2,1-3H3/t11-/m0/s1
• InChIKey: BDWVCVFZDAORDV-NSHDSACASA-N
• XLogP: 3.14
• TPSA: 67.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.53
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?

The IUPAC name of 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone (CID 8538478) is 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone.

What is the SMILES notation for 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?

The canonical SMILES for 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is Cc1csc(SCC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)n1.

What is the InChIKey of 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?

The InChIKey is BDWVCVFZDAORDV-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O3S3/c1-10-8-22-16(17-10)23-9-15(19)12-4-5-14-13(7-12)6-11(2)18(14)24(3,20)21/h4-5,7-8,11H,6,9H2,1-3H3/t11-/m0/s1.

What are the key properties of 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone?

1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone has a molecular weight of 382.53 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 8538478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).