1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole

C12H16N2O2S — CID 110705798

IUPAC1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole
SMILESO=S(=O)(N1CCCC1)N1CCc2ccccc21
InChIInChI=1S/C12H16N2O2S/c15-17(16,13-8-3-4-9-13)14-10-7-11-5-1-2-6-12(11)14/h1-2,5-6H,3-4,7-10H2
InChIKeyMJYYUSBJXUHGHY-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.39
Rot. Bonds2

About 1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole

1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole (PubChem CID 110705798) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole
PubChem CID110705798
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole
SMILESO=S(=O)(N1CCCC1)N1CCc2ccccc21
InChIInChI=1S/C12H16N2O2S/c15-17(16,13-8-3-4-9-13)14-10-7-11-5-1-2-6-12(11)14/h1-2,5-6H,3-4,7-10H2
InChIKeyMJYYUSBJXUHGHY-UHFFFAOYSA-N
XLogP1.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110865622
1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 43811959
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)piperazin-1-yl]ethanone
CID 110865632
1-[4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
CID 58724133
1-(3-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110865729
2,3-dihydroindol-1-yl(trifluoro)-λ4-sulfane
CID 20650007
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
1-(2,3-dihydroindol-1-ylsulfonyl)indol-2-ol
CID 91297351
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole?
The IUPAC name of 1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole (CID 110705798) is 1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole is O=S(=O)(N1CCCC1)N1CCc2ccccc21.
What is the InChIKey of 1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole?
The InChIKey is MJYYUSBJXUHGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-17(16,13-8-3-4-9-13)14-10-7-11-5-1-2-6-12(11)14/h1-2,5-6H,3-4,7-10H2.
What are the key properties of 1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole?
1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole has a molecular weight of 252.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 110705798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).