(6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one

C13H17NO2S — CID 102317833

IUPAC(6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one
SMILESC[C@@H](O)[C@H]1CN(Cc2ccccc2)C(=O)CS1
InChIInChI=1S/C13H17NO2S/c1-10(15)12-8-14(13(16)9-17-12)7-11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3/t10-,12-/m1/s1
InChIKeyBYTYLBAXSBFHIH-ZYHUDNBSSA-N
MW251.35 g/mol
LogP1.51
Rot. Bonds3

About (6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one

(6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one (PubChem CID 102317833) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is (6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one.

Molecular Properties

Compound Name(6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one
PubChem CID102317833
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name(6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one
SMILESC[C@@H](O)[C@H]1CN(Cc2ccccc2)C(=O)CS1
InChIInChI=1S/C13H17NO2S/c1-10(15)12-8-14(13(16)9-17-12)7-11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3/t10-,12-/m1/s1
InChIKeyBYTYLBAXSBFHIH-ZYHUDNBSSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-6-methylthiomorpholin-3-one
CID 10560956
(6S)-4,6-dibenzylthiomorpholin-3-one
CID 101239971
(5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one
CID 122231032
(5S)-3-benzyl-5-propan-2-yl-1,3-thiazolidin-2-one
CID 131860745
1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420568
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
1-benzyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 91638875
1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 18079780
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
4-(aminomethyl)-1-benzylpyrrolidin-2-one;2,3-dihydroxybutanedioic acid
CID 14129465

Frequently Asked Questions

What is the IUPAC name of (6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one?
The IUPAC name of (6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one (CID 102317833) is (6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one.
What is the SMILES notation for (6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one?
The canonical SMILES for (6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one is C[C@@H](O)[C@H]1CN(Cc2ccccc2)C(=O)CS1.
What is the InChIKey of (6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one?
The InChIKey is BYTYLBAXSBFHIH-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-10(15)12-8-14(13(16)9-17-12)7-11-5-3-2-4-6-11/h2-6,10,12,15H,7-9H2,1H3/t10-,12-/m1/s1.
What are the key properties of (6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one?
(6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one has a molecular weight of 251.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one is sourced from PubChem (CID 102317833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).