2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine

C18H30N4O2S — CID 51359864

IUPAC2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(C2CN(Cc3ccccc3)S(=O)(=O)C2)CC1
InChIInChI=1S/C18H30N4O2S/c1-19(2)8-9-20-10-12-21(13-11-20)18-15-22(25(23,24)16-18)14-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3
InChIKeyOLURNUCDLZDQQX-UHFFFAOYSA-N
MW366.53 g/mol
LogP0.38
Rot. Bonds6

About 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine

2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 51359864) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID51359864
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCN(C2CN(Cc3ccccc3)S(=O)(=O)C2)CC1
InChIInChI=1S/C18H30N4O2S/c1-19(2)8-9-20-10-12-21(13-11-20)18-15-22(25(23,24)16-18)14-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3
InChIKeyOLURNUCDLZDQQX-UHFFFAOYSA-N
XLogP0.38
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-Benzyl-4-piperidinyl)-4-(methylsulfonyl)piperazine
CID 878477
2-(2-Phenylethyl)-4-pyrrolidin-1-yl-1,2-thiazolidine 1,1-dioxide
CID 51360667
(E)-1-benzyl-4-(styrylsulfonyl)piperazine
CID 882298
1-(Benzenesulfonyl)-4-methyl-2-phenylpiperazine
CID 16317268
1-Benzyl-4-(benzylsulfonyl)piperazine
CID 669283
1-(4-Methyl-cyclohexyl)-4-phenylmethanesulfonyl-piperazine
CID 1151775
1-(Ethylsulfonyl)-4-(4-phenylbutan-2-yl)piperazine
CID 2902684
(5S)-2-benzyl-7-methylsulfonyl-2,7-diazaspiro[4.5]decane
CID 3233118
1-[(3-Methylphenyl)methyl]-4-[(phenylmethyl)sulfonyl]piperazine
CID 8163021
1-Benzylsulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443040
1-Benzyl-4-[(3-methylbenzyl)sulfonyl]piperazine
CID 17741443
N-Ethyl-N-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404543

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine (CID 51359864) is 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCN(C2CN(Cc3ccccc3)S(=O)(=O)C2)CC1.
What is the InChIKey of 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is OLURNUCDLZDQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-19(2)8-9-20-10-12-21(13-11-20)18-15-22(25(23,24)16-18)14-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3.
What are the key properties of 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 366.53 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 51359864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).