1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid

C14H17NO4S — CID 647028

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H17NO4S/c16-14(17)13-5-2-8-15(13)20(18,19)12-7-6-10-3-1-4-11(10)9-12/h6-7,9,13H,1-5,8H2,(H,16,17)
InChIKeySKWFXMCMFQHSEZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.41
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid (PubChem CID 647028) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
PubChem CID647028
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H17NO4S/c16-14(17)13-5-2-8-15(13)20(18,19)12-7-6-10-3-1-4-11(10)9-12/h6-7,9,13H,1-5,8H2,(H,16,17)
InChIKeySKWFXMCMFQHSEZ-UHFFFAOYSA-N
XLogP1.41
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate
CID 6969895
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone
CID 63846556
(2R)-N-cyclopropyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxamide
CID 35611276
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79370777
1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 75110472
(2S)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 45290992
(4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61141879
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]methanol
CID 43574426
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2765073
1-(3,4-difluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 43235907
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
(2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78920787

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid (CID 647028) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is SKWFXMCMFQHSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c16-14(17)13-5-2-8-15(13)20(18,19)12-7-6-10-3-1-4-11(10)9-12/h6-7,9,13H,1-5,8H2,(H,16,17).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 295.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 647028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).