2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone

C17H24N2O3S — CID 99840592

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone
SMILESO=C(CN1CCCS1(=O)=O)N1CCCCC[C@H]1c1ccccc1
InChIInChI=1S/C17H24N2O3S/c20-17(14-18-11-7-13-23(18,21)22)19-12-6-2-5-10-16(19)15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2/t16-/m0/s1
InChIKeySJYDAISGCYBALT-INIZCTEOSA-N
MW336.46 g/mol
LogP2.17
Rot. Bonds3

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone (PubChem CID 99840592) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone
PubChem CID99840592
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone
SMILESO=C(CN1CCCS1(=O)=O)N1CCCCC[C@H]1c1ccccc1
InChIInChI=1S/C17H24N2O3S/c20-17(14-18-11-7-13-23(18,21)22)19-12-6-2-5-10-16(19)15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2/t16-/m0/s1
InChIKeySJYDAISGCYBALT-INIZCTEOSA-N
XLogP2.17
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone with MolForge

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Related Compounds

cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
7-amino-1-(2-phenylazepan-1-yl)heptan-1-one
CID 119737777
1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-phenylpropan-2-one
CID 62023614
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[2-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 126782301
3-(2-aminophenyl)-1-(2-phenylazepan-1-yl)propan-1-one
CID 120609446
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethanone;hydrochloride
CID 120738462
1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-1-one
CID 126781585
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-phenylazepan-1-yl]ethanone
CID 97313180
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
1-(2-phenylpiperidin-1-yl)ethanethione
CID 150861838
6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 43579532

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone (CID 99840592) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone is O=C(CN1CCCS1(=O)=O)N1CCCCC[C@H]1c1ccccc1.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone?
The InChIKey is SJYDAISGCYBALT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(14-18-11-7-13-23(18,21)22)19-12-6-2-5-10-16(19)15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2/t16-/m0/s1.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone has a molecular weight of 336.46 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2S)-2-phenylazepan-1-yl]ethanone is sourced from PubChem (CID 99840592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).