4-benzyl-6-methylthiomorpholin-3-one

C12H15NOS — CID 10560956

IUPAC4-benzyl-6-methylthiomorpholin-3-one
SMILESCC1CN(Cc2ccccc2)C(=O)CS1
InChIInChI=1S/C12H15NOS/c1-10-7-13(12(14)9-15-10)8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyTZBCKCRUMQTPBC-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.15
Rot. Bonds2

About 4-benzyl-6-methylthiomorpholin-3-one

4-benzyl-6-methylthiomorpholin-3-one (PubChem CID 10560956) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-benzyl-6-methylthiomorpholin-3-one.

Molecular Properties

Compound Name4-benzyl-6-methylthiomorpholin-3-one
PubChem CID10560956
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name4-benzyl-6-methylthiomorpholin-3-one
SMILESCC1CN(Cc2ccccc2)C(=O)CS1
InChIInChI=1S/C12H15NOS/c1-10-7-13(12(14)9-15-10)8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyTZBCKCRUMQTPBC-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-4,6-dibenzylthiomorpholin-3-one
CID 101239971
(6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one
CID 102317833
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
1-benzyl-4-methylpiperazine-2,3-dione;ethane
CID 142485528
(4aS,8aS)-2-benzyl-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-3-one
CID 10490446
(3S,4S)-1-benzyl-4-ethyl-3-methylpyrrolidin-2-one
CID 59034735
(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one
CID 122420073
1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420568
(5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one
CID 122231032
(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one
CID 56828035
1-[(4-benzylphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 22292958

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-6-methylthiomorpholin-3-one?
The IUPAC name of 4-benzyl-6-methylthiomorpholin-3-one (CID 10560956) is 4-benzyl-6-methylthiomorpholin-3-one.
What is the SMILES notation for 4-benzyl-6-methylthiomorpholin-3-one?
The canonical SMILES for 4-benzyl-6-methylthiomorpholin-3-one is CC1CN(Cc2ccccc2)C(=O)CS1.
What is the InChIKey of 4-benzyl-6-methylthiomorpholin-3-one?
The InChIKey is TZBCKCRUMQTPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-10-7-13(12(14)9-15-10)8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3.
What are the key properties of 4-benzyl-6-methylthiomorpholin-3-one?
4-benzyl-6-methylthiomorpholin-3-one has a molecular weight of 221.33 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-6-methylthiomorpholin-3-one is sourced from PubChem (CID 10560956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).