1-methylsulfonyl-2,3-dihydroindole

C9H11NO2S — CID 639972

IUPAC1-methylsulfonyl-2,3-dihydroindole
SMILESCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C9H11NO2S/c1-13(11,12)10-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3
InChIKeyUTGYXFSLMMMLAZ-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.01
Rot. Bonds1

About 1-methylsulfonyl-2,3-dihydroindole

1-methylsulfonyl-2,3-dihydroindole (PubChem CID 639972) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-methylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-methylsulfonyl-2,3-dihydroindole
PubChem CID639972
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name1-methylsulfonyl-2,3-dihydroindole
SMILESCS(=O)(=O)N1CCc2ccccc21
InChIInChI=1S/C9H11NO2S/c1-13(11,12)10-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3
InChIKeyUTGYXFSLMMMLAZ-UHFFFAOYSA-N
XLogP1.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylindoline
CID 23305
1,3-Dihydro-1-methyl-2H-indole-2-thione
CID 26156
1-Methyl-2,3-dihydro-1H-indole
CID 55830
4-(2,3-Dihydro-1H-indole-1-sulfonyl)aniline
CID 576320
1-(Phenylsulfonyl)indoline
CID 668757
1-(4-Fluorophenyl)sulfonyl-2,3-dihydroindole
CID 768000
1-Nitrosoindoline
CID 24274
2-Indolinethione, 1,3-dimethyl-
CID 26157
1-(Methylsulfonyl)indolin-5-amine
CID 735917
Indoline, 1-methylsulfonyl-5-(1-piperidylsulfonyl)-
CID 608636
N,N-dimethyl-1-indolinesulfonamide
CID 744039
2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine
CID 744368

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-2,3-dihydroindole?
The IUPAC name of 1-methylsulfonyl-2,3-dihydroindole (CID 639972) is 1-methylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-methylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-methylsulfonyl-2,3-dihydroindole is CS(=O)(=O)N1CCc2ccccc21.
What is the InChIKey of 1-methylsulfonyl-2,3-dihydroindole?
The InChIKey is UTGYXFSLMMMLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-13(11,12)10-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3.
What are the key properties of 1-methylsulfonyl-2,3-dihydroindole?
1-methylsulfonyl-2,3-dihydroindole has a molecular weight of 197.26 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 639972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).