1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone

C16H17NO3S — CID 129400215

IUPAC1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone
SMILESCc1occc1[S@](=O)CC(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C16H17NO3S/c1-11-9-13-5-3-4-6-14(13)17(11)16(18)10-21(19)15-7-8-20-12(15)2/h3-8,11H,9-10H2,1-2H3/t11-,21+/m0/s1
InChIKeyJXOOXSNQUHRDFB-WIUDPPPLSA-N
MW303.38 g/mol
LogP2.67
Rot. Bonds3

About 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone

1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone (PubChem CID 129400215) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone
PubChem CID129400215
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone
SMILESCc1occc1[S@](=O)CC(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C16H17NO3S/c1-11-9-13-5-3-4-6-14(13)17(11)16(18)10-21(19)15-7-8-20-12(15)2/h3-8,11H,9-10H2,1-2H3/t11-,21+/m0/s1
InChIKeyJXOOXSNQUHRDFB-WIUDPPPLSA-N
XLogP2.67
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide
CID 136522965
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-methylphenyl)sulfanylethanone
CID 112759379
3-(2-methoxyethylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109015312
2-(4-hydroxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 78838862
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
N-cyclopentyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 113159384

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone?
The IUPAC name of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone (CID 129400215) is 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone.
What is the SMILES notation for 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone?
The canonical SMILES for 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone is Cc1occc1[S@](=O)CC(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone?
The InChIKey is JXOOXSNQUHRDFB-WIUDPPPLSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11-9-13-5-3-4-6-14(13)17(11)16(18)10-21(19)15-7-8-20-12(15)2/h3-8,11H,9-10H2,1-2H3/t11-,21+/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone?
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone has a molecular weight of 303.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone is sourced from PubChem (CID 129400215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).