(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate

C14H16NO4S- — CID 6969895

IUPAC(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate
SMILESO=C([O-])[C@H]1CCCN1S(=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)/p-1/t13-/m1/s1
InChIKeySKWFXMCMFQHSEZ-CYBMUJFWSA-M
MW294.35 g/mol
LogP0.08
Rot. Bonds3

About (2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate

(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate (PubChem CID 6969895) has the molecular formula C14H16NO4S- and a molecular weight of 294.35 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate
PubChem CID6969895
Molecular FormulaC14H16NO4S-
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate
SMILESO=C([O-])[C@H]1CCCN1S(=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)/p-1/t13-/m1/s1
InChIKeySKWFXMCMFQHSEZ-CYBMUJFWSA-M
XLogP0.08
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 647028
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)piperidin-2-yl]methanol
CID 43574426
1-(4-carboxylatophenyl)sulfonylpyrrolidine-2-carboxylate
CID 3622357
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79370777
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-2-yl]methanol
CID 43574439
(2R)-1-(3-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 2215363
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60548466
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2-carboxamide
CID 11924079
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
(4R)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61141879

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate?
The IUPAC name of (2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate (CID 6969895) is (2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for (2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for (2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate is O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of (2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate?
The InChIKey is SKWFXMCMFQHSEZ-CYBMUJFWSA-M. 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)/p-1/t13-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate?
(2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 6969895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).