(6S)-4,6-dibenzylthiomorpholin-3-one

C18H19NOS — CID 101239971

IUPAC(6S)-4,6-dibenzylthiomorpholin-3-one
SMILESO=C1CS[C@@H](Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H19NOS/c20-18-14-21-17(11-15-7-3-1-4-8-15)13-19(18)12-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeyMTPDLLGLJBVIIL-KRWDZBQOSA-N
MW297.42 g/mol
LogP3.37
Rot. Bonds4

About (6S)-4,6-dibenzylthiomorpholin-3-one

(6S)-4,6-dibenzylthiomorpholin-3-one (PubChem CID 101239971) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is (6S)-4,6-dibenzylthiomorpholin-3-one.

Molecular Properties

Compound Name(6S)-4,6-dibenzylthiomorpholin-3-one
PubChem CID101239971
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name(6S)-4,6-dibenzylthiomorpholin-3-one
SMILESO=C1CS[C@@H](Cc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C18H19NOS/c20-18-14-21-17(11-15-7-3-1-4-8-15)13-19(18)12-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeyMTPDLLGLJBVIIL-KRWDZBQOSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-6-methylthiomorpholin-3-one
CID 10560956
(6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one
CID 102317833
1,4-dibenzylpiperidin-2-one
CID 57246894
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride
CID 146050632
(5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one
CID 10691445
1,5-dibenzyl-1,3-diazinane-2,4-dione
CID 78176419
(4aS,8aS)-2-benzyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-3-one
CID 10490446
(6S)-1-benzyl-6-hydroxyazepan-2-one
CID 142998069
1-[(4-benzylphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 22292958
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333

Frequently Asked Questions

What is the IUPAC name of (6S)-4,6-dibenzylthiomorpholin-3-one?
The IUPAC name of (6S)-4,6-dibenzylthiomorpholin-3-one (CID 101239971) is (6S)-4,6-dibenzylthiomorpholin-3-one.
What is the SMILES notation for (6S)-4,6-dibenzylthiomorpholin-3-one?
The canonical SMILES for (6S)-4,6-dibenzylthiomorpholin-3-one is O=C1CS[C@@H](Cc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (6S)-4,6-dibenzylthiomorpholin-3-one?
The InChIKey is MTPDLLGLJBVIIL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19NOS/c20-18-14-21-17(11-15-7-3-1-4-8-15)13-19(18)12-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1.
What are the key properties of (6S)-4,6-dibenzylthiomorpholin-3-one?
(6S)-4,6-dibenzylthiomorpholin-3-one has a molecular weight of 297.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4,6-dibenzylthiomorpholin-3-one is sourced from PubChem (CID 101239971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).