(2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole

C13H19NO2S — CID 130412834

IUPAC(2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole
SMILESCC[C@@H]1Cc2ccccc2N1S(=O)(=O)C(C)C
InChIInChI=1S/C13H19NO2S/c1-4-12-9-11-7-5-6-8-13(11)14(12)17(15,16)10(2)3/h5-8,10,12H,4,9H2,1-3H3/t12-/m1/s1
InChIKeyUKXPVEZHSPEEFZ-GFCCVEGCSA-N
MW253.37 g/mol
LogP2.57
Rot. Bonds3

About (2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole

(2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole (PubChem CID 130412834) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is (2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole
PubChem CID130412834
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name(2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole
SMILESCC[C@@H]1Cc2ccccc2N1S(=O)(=O)C(C)C
InChIInChI=1S/C13H19NO2S/c1-4-12-9-11-7-5-6-8-13(11)14(12)17(15,16)10(2)3/h5-8,10,12H,4,9H2,1-3H3/t12-/m1/s1
InChIKeyUKXPVEZHSPEEFZ-GFCCVEGCSA-N
XLogP2.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-propan-2-ylsulfonyl-3,4-dihydro-2H-quinoline
CID 63378163
2-methyl-3-(1-propyl-2,3-dihydroindol-2-yl)propanoic acid
CID 115106336
2-ethyl-1-piperidin-1-yl-2,3-dihydroindole
CID 70589766
2-methyl-1-[(E)-2-phenylethenyl]sulfonyl-2,3-dihydroindole
CID 6212461
1-(3-propan-2-ylsulfonylpropyl)-3,4-dihydro-2H-quinolin-3-ol
CID 136537932
2-acetyl-2,3-dihydroindole-1-sulfonic acid
CID 70189483
1-methylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 3486672
3-ethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 22891660
(2S)-1-(dipropylsulfamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 154745822
[(2R)-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-2-yl]methanol
CID 143858301
2-[(2S)-1-[cyclopentyl(methyl)sulfamoyl]-2,3-dihydroindol-2-yl]acetic acid
CID 166287715
2-(1-ethyl-2,3-dihydroindol-2-yl)acetic acid
CID 115106317

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole?
The IUPAC name of (2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole (CID 130412834) is (2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for (2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole?
The canonical SMILES for (2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole is CC[C@@H]1Cc2ccccc2N1S(=O)(=O)C(C)C.
What is the InChIKey of (2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole?
The InChIKey is UKXPVEZHSPEEFZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-4-12-9-11-7-5-6-8-13(11)14(12)17(15,16)10(2)3/h5-8,10,12H,4,9H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole?
(2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole has a molecular weight of 253.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-1-propan-2-ylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 130412834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).