1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one

C22H23N3O2S — CID 42906262

IUPAC1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCS/C2=N\c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C22H23N3O2S/c26-20-14-18(16-24(20)15-17-8-3-1-4-9-17)21(27)25-12-7-13-28-22(25)23-19-10-5-2-6-11-19/h1-6,8-11,18H,7,12-16H2/b23-22-
InChIKeyVDSWYOXCJUXMSB-FCQUAONHSA-N
MW393.51 g/mol
LogP3.69
Rot. Bonds4

About 1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one

1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one (PubChem CID 42906262) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one
PubChem CID42906262
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCS/C2=N\c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C22H23N3O2S/c26-20-14-18(16-24(20)15-17-8-3-1-4-9-17)21(27)25-12-7-13-28-22(25)23-19-10-5-2-6-11-19/h1-6,8-11,18H,7,12-16H2/b23-22-
InChIKeyVDSWYOXCJUXMSB-FCQUAONHSA-N
XLogP3.69
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
(4S)-1-benzyl-4-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxaline-5-carbonyl)pyrrolidin-2-one
CID 27674306
1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 119137735
2-(2,6-dichlorophenyl)-1-(2-phenylimino-1,3-thiazinan-3-yl)ethanone
CID 7948452
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
1-benzyl-4-[4-(2-sulfanylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546297
phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568580
1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24979026
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
1-benzyl-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 78858914
3-[4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543326
1-benzyl-4-[4-(thiophene-2-carbonyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546308

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one (CID 42906262) is 1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCCS/C2=N\c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one?
The InChIKey is VDSWYOXCJUXMSB-FCQUAONHSA-N. The full InChI is InChI=1S/C22H23N3O2S/c26-20-14-18(16-24(20)15-17-8-3-1-4-9-17)21(27)25-12-7-13-28-22(25)23-19-10-5-2-6-11-19/h1-6,8-11,18H,7,12-16H2/b23-22-.
What are the key properties of 1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one?
1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one has a molecular weight of 393.51 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2-phenylimino-1,3-thiazinane-3-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 42906262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).