6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one

C18H17NOS — CID 14869288

IUPAC6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
SMILESCC12CSC1(c1ccccc1)N(Cc1ccccc1)C2=O
InChIInChI=1S/C18H17NOS/c1-17-13-21-18(17,15-10-6-3-7-11-15)19(16(17)20)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3
InChIKeyLPRPDYMLKZPSND-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.63
Rot. Bonds3

About 6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one

6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one (PubChem CID 14869288) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one.

Molecular Properties

Compound Name6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
PubChem CID14869288
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
SMILESCC12CSC1(c1ccccc1)N(Cc1ccccc1)C2=O
InChIInChI=1S/C18H17NOS/c1-17-13-21-18(17,15-10-6-3-7-11-15)19(16(17)20)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3
InChIKeyLPRPDYMLKZPSND-UHFFFAOYSA-N
XLogP3.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-1-tert-butyl-4-phenyl-3-phenylsulfanylazetidin-2-one
CID 101397901
1-Benzyl-4-phenyl-3-(phenylsulfanyl)-2-azetidinone
CID 7314923
1-Butyl-5-(4-methylphenylthio)-6-phenylpiperidin-2-one
CID 53263123
(1S,4R)-4-methyl-1,6-diphenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one
CID 101116596
(3S,4R)-1-tert-butyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one
CID 134919473
(3S,4S)-1-tert-butyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one
CID 134919474
(3S,4R)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one
CID 134919527
(3S,4S)-1-ethyl-3-methyl-4-phenyl-3-phenylsulfanylazetidin-2-one
CID 134919576
3-benzyl-3-[(Z)-2-benzylsulfanylethenyl]-5-phenyl-1-propan-2-ylpyrrol-2-one
CID 134999218
(3R)-N,N-dibenzyl-3-phenyl-3-propylsulfanylpropanamide
CID 164674802
1-[2-(4-Tert-butylphenyl)-1,3-thiazolidin-3-yl]-2-phenylbutan-1-one
CID 4083073
1-Benzyl-3,3-dimethyl-4-phenylazetidin-2-one
CID 436291

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
The IUPAC name of 6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one (CID 14869288) is 6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one.
What is the SMILES notation for 6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
The canonical SMILES for 6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one is CC12CSC1(c1ccccc1)N(Cc1ccccc1)C2=O.
What is the InChIKey of 6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
The InChIKey is LPRPDYMLKZPSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-17-13-21-18(17,15-10-6-3-7-11-15)19(16(17)20)12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3.
What are the key properties of 6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one?
6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one has a molecular weight of 295.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-methyl-1-phenyl-2-thia-6-azabicyclo[2.2.0]hexan-5-one is sourced from PubChem (CID 14869288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).