(3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one

C18H19NOS — CID 134919576

IUPAC(3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one
SMILESCCN1C(=O)[C@@](C)(Sc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H19NOS/c1-3-19-16(14-10-6-4-7-11-14)18(2,17(19)20)21-15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3/t16-,18-/m0/s1
InChIKeyGRBLOOVXRVYHEK-WMZOPIPTSA-N
MW297.42 g/mol
LogP4.14
Rot. Bonds4

About (3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one

(3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one (PubChem CID 134919576) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is (3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one
PubChem CID134919576
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name(3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one
SMILESCCN1C(=O)[C@@](C)(Sc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H19NOS/c1-3-19-16(14-10-6-4-7-11-14)18(2,17(19)20)21-15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3/t16-,18-/m0/s1
InChIKeyGRBLOOVXRVYHEK-WMZOPIPTSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 875288
N-benzhydryl-N-methyl-2-methylsulfanylbenzamide
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CID 2889554
1-methyl-4-[(1S)-1-phenyl-2-phenylsulfanylethyl]-1,4-diazepan-5-one
CID 24761273
4-[(1S)-1-phenyl-2-phenylsulfanylethyl]-1-propyl-1,4-diazepan-5-one
CID 24761285
2-Methyl-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 44825476
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide
CID 4787633
(2S)-2-benzyl-N-methyl-4-oxo-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-1-carboxamide
CID 10597572
(5S)-5-methyl-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]azepan-2-one
CID 24793763
(2R)-2-benzyl-N-methyl-4-oxo-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]azetidine-1-carboxamide
CID 482410
(Z)-1-[(2S,3S)-2,3-diphenylazetidin-1-yl]octadec-9-en-1-one
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N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one?
The IUPAC name of (3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one (CID 134919576) is (3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one.
What is the SMILES notation for (3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one?
The canonical SMILES for (3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one is CCN1C(=O)[C@@](C)(Sc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one?
The InChIKey is GRBLOOVXRVYHEK-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H19NOS/c1-3-19-16(14-10-6-4-7-11-14)18(2,17(19)20)21-15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of (3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one?
(3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one has a molecular weight of 297.42 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one is sourced from PubChem (CID 134919576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).