1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide

C14H19N3O3S — CID 168718162

IUPAC1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(CCN2CCc3ccccc32)C1
InChIInChI=1S/C14H19N3O3S/c15-21(19,20)12-9-14(18)17(10-12)8-7-16-6-5-11-3-1-2-4-13(11)16/h1-4,12H,5-10H2,(H2,15,19,20)
InChIKeyNFBLWWCYTPNXRL-UHFFFAOYSA-N
MW309.39 g/mol
LogP-0.06
Rot. Bonds4

About 1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide

1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718162) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718162
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(CCN2CCc3ccccc32)C1
InChIInChI=1S/C14H19N3O3S/c15-21(19,20)12-9-14(18)17(10-12)8-7-16-6-5-11-3-1-2-4-13(11)16/h1-4,12H,5-10H2,(H2,15,19,20)
InChIKeyNFBLWWCYTPNXRL-UHFFFAOYSA-N
XLogP-0.06
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702898
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
1-(2-hydroxy-2-phenylethyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716694
1-[2-(1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718272
5-oxo-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine-3-sulfonamide
CID 168716641
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
1-(2-iodoethyl)-2,3-dihydroindole
CID 131082836
1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717537
5-oxo-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-3-sulfonamide
CID 168718383
1-[2-(azepan-1-yl)ethyl]-2,3-dihydroindole
CID 54806650
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718184

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide (CID 168718162) is 1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(CCN2CCc3ccccc32)C1.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is NFBLWWCYTPNXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c15-21(19,20)12-9-14(18)17(10-12)8-7-16-6-5-11-3-1-2-4-13(11)16/h1-4,12H,5-10H2,(H2,15,19,20).
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide?
1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)ethyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).