1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

C16H22N2O3S — CID 110429038

IUPAC1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCCC1CCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C16H22N2O3S/c1-3-14-5-4-9-18(14)22(20,21)15-6-7-16-13(11-15)8-10-17(16)12(2)19/h6-7,11,14H,3-5,8-10H2,1-2H3
InChIKeyRSLUIEFQKAYQND-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.16
Rot. Bonds3

About 1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 110429038) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID110429038
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCCC1CCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
InChIInChI=1S/C16H22N2O3S/c1-3-14-5-4-9-18(14)22(20,21)15-6-7-16-13(11-15)8-10-17(16)12(2)19/h6-7,11,14H,3-5,8-10H2,1-2H3
InChIKeyRSLUIEFQKAYQND-UHFFFAOYSA-N
XLogP2.16
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119990877
1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 75110472
1-[5-(2-cyclopropylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110871860
1-(azepan-1-yl)-4-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025613
5-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
CID 126457259
1-[5-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119984768
1-[6-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119969556
1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 124681524
1-[6-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 46283508
1-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 3647350
1-[5-(2,3-dimethylmorpholin-4-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 110727870
1-(3,4-dimethylphenyl)sulfonyl-2-ethylpyrrolidine
CID 110429015

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 110429038) is 1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone is CCC1CCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O.
What is the InChIKey of 1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is RSLUIEFQKAYQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-3-14-5-4-9-18(14)22(20,21)15-6-7-16-13(11-15)8-10-17(16)12(2)19/h6-7,11,14H,3-5,8-10H2,1-2H3.
What are the key properties of 1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 322.43 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 110429038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).