5-ethylsulfonyl-2,3-dihydro-1H-indole

C10H13NO2S — CID 134176519

IUPAC5-ethylsulfonyl-2,3-dihydro-1H-indole
SMILESCCS(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C10H13NO2S/c1-2-14(12,13)9-3-4-10-8(7-9)5-6-11-10/h3-4,7,11H,2,5-6H2,1H3
InChIKeyYCOOTAUDIBKORK-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.45
Rot. Bonds2

About 5-ethylsulfonyl-2,3-dihydro-1H-indole

5-ethylsulfonyl-2,3-dihydro-1H-indole (PubChem CID 134176519) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-ethylsulfonyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-ethylsulfonyl-2,3-dihydro-1H-indole
PubChem CID134176519
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name5-ethylsulfonyl-2,3-dihydro-1H-indole
SMILESCCS(=O)(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C10H13NO2S/c1-2-14(12,13)9-3-4-10-8(7-9)5-6-11-10/h3-4,7,11H,2,5-6H2,1H3
InChIKeyYCOOTAUDIBKORK-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole
CID 68564334
6-propylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 82044394
3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propan-1-ol
CID 138112782
3-(2,3-dihydro-1H-indol-5-ylsulfonyl)propanoic acid
CID 135392633
N-methyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119880
N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62693554
N-(2-ethylcyclopropyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 114108612
N-butyl-N-cyclopropyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 61443459
N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 106191065
N-cyclopentyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43267403
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 65042936
N-cycloheptyl-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 43614367

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-ethylsulfonyl-2,3-dihydro-1H-indole (CID 134176519) is 5-ethylsulfonyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-ethylsulfonyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-ethylsulfonyl-2,3-dihydro-1H-indole is CCS(=O)(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of 5-ethylsulfonyl-2,3-dihydro-1H-indole?
The InChIKey is YCOOTAUDIBKORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-14(12,13)9-3-4-10-8(7-9)5-6-11-10/h3-4,7,11H,2,5-6H2,1H3.
What are the key properties of 5-ethylsulfonyl-2,3-dihydro-1H-indole?
5-ethylsulfonyl-2,3-dihydro-1H-indole has a molecular weight of 211.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 134176519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).