[(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone

C18H24N2O3S — CID 124608516

IUPAC[(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone
SMILESCC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CCS1
InChIInChI=1S/C18H24N2O3S/c1-2-13-12-19(10-11-24-13)18(23)15-7-5-9-20(15)17(22)14-6-3-4-8-16(14)21/h3-4,6,8,13,15,21H,2,5,7,9-12H2,1H3/t13-,15+/m1/s1
InChIKeyRNMZICLKYTVIFR-HIFRSBDPSA-N
MW348.47 g/mol
LogP2.35
Rot. Bonds3

About [(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone

[(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone (PubChem CID 124608516) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is [(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone
PubChem CID124608516
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name[(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone
SMILESCC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CCS1
InChIInChI=1S/C18H24N2O3S/c1-2-13-12-19(10-11-24-13)18(23)15-7-5-9-20(15)17(22)14-6-3-4-8-16(14)21/h3-4,6,8,13,15,21H,2,5,7,9-12H2,1H3/t13-,15+/m1/s1
InChIKeyRNMZICLKYTVIFR-HIFRSBDPSA-N
XLogP2.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone?
The IUPAC name of [(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone (CID 124608516) is [(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for [(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for [(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone is CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CCS1.
What is the InChIKey of [(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone?
The InChIKey is RNMZICLKYTVIFR-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-2-13-12-19(10-11-24-13)18(23)15-7-5-9-20(15)17(22)14-6-3-4-8-16(14)21/h3-4,6,8,13,15,21H,2,5,7,9-12H2,1H3/t13-,15+/m1/s1.
What are the key properties of [(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone?
[(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone has a molecular weight of 348.47 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-ethylthiomorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 124608516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).