(2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole

C15H21NO3S — CID 124721230

IUPAC(2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole
SMILESC[C@H]1Cc2ccccc2N1S(=O)(=O)C[C@H]1CCCCO1
InChIInChI=1S/C15H21NO3S/c1-12-10-13-6-2-3-8-15(13)16(12)20(17,18)11-14-7-4-5-9-19-14/h2-3,6,8,12,14H,4-5,7,9-11H2,1H3/t12-,14+/m0/s1
InChIKeyAAKYHYOGUXUCDJ-GXTWGEPZSA-N
MW295.40 g/mol
LogP2.34
Rot. Bonds3

About (2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole

(2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole (PubChem CID 124721230) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is (2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole.

Molecular Properties

Compound Name(2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole
PubChem CID124721230
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name(2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole
SMILESC[C@H]1Cc2ccccc2N1S(=O)(=O)C[C@H]1CCCCO1
InChIInChI=1S/C15H21NO3S/c1-12-10-13-6-2-3-8-15(13)16(12)20(17,18)11-14-7-4-5-9-19-14/h2-3,6,8,12,14H,4-5,7,9-11H2,1H3/t12-,14+/m0/s1
InChIKeyAAKYHYOGUXUCDJ-GXTWGEPZSA-N
XLogP2.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(2S)-oxolan-2-yl]methylsulfonyl]ethanone
CID 94048261
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]ethanone
CID 94048263
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonylmethyl]-1,2-benzoxazole
CID 90624435
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7437096
2-(oxan-2-ylmethyl)-2,3-dihydroinden-1-one
CID 79428633
4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonylmethyl]benzonitrile
CID 41037225
2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole
CID 6212461
1-(oxan-2-ylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902946
N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160363
1-(oxolan-2-ylmethylsulfonyl)-2,3,4,5-tetrahydro-1-benzazepin-5-amine
CID 114335926
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
(2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide
CID 41452585

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole?
The IUPAC name of (2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole (CID 124721230) is (2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole.
What is the SMILES notation for (2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole?
The canonical SMILES for (2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole is C[C@H]1Cc2ccccc2N1S(=O)(=O)C[C@H]1CCCCO1.
What is the InChIKey of (2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole?
The InChIKey is AAKYHYOGUXUCDJ-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-12-10-13-6-2-3-8-15(13)16(12)20(17,18)11-14-7-4-5-9-19-14/h2-3,6,8,12,14H,4-5,7,9-11H2,1H3/t12-,14+/m0/s1.
What are the key properties of (2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole?
(2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole has a molecular weight of 295.40 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-[[(2R)-oxan-2-yl]methylsulfonyl]-2,3-dihydroindole is sourced from PubChem (CID 124721230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).