N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide

C15H30N4O2S — CID 111153665

IUPACN'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CCN1CCCS1(=O)=O)N1CC(C)CC(C)C1
InChIInChI=1S/C15H30N4O2S/c1-4-16-15(18-11-13(2)10-14(3)12-18)17-6-8-19-7-5-9-22(19,20)21/h13-14H,4-12H2,1-3H3,(H,16,17)
InChIKeyWFPREJKRHNYODB-UHFFFAOYSA-N
MW330.50 g/mol
LogP0.97
Rot. Bonds4

About N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide

N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide (PubChem CID 111153665) has the molecular formula C15H30N4O2S and a molecular weight of 330.50 g/mol. Its IUPAC name is N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
PubChem CID111153665
Molecular FormulaC15H30N4O2S
Molecular Weight330.50 g/mol
Exact Mass330.21
IUPAC NameN'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide
SMILESCCN/C(=N\CCN1CCCS1(=O)=O)N1CC(C)CC(C)C1
InChIInChI=1S/C15H30N4O2S/c1-4-16-15(18-11-13(2)10-14(3)12-18)17-6-8-19-7-5-9-22(19,20)21/h13-14H,4-12H2,1-3H3,(H,16,17)
InChIKeyWFPREJKRHNYODB-UHFFFAOYSA-N
XLogP0.97
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109379150
N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
CID 110955385
4-acetyl-N'-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110962582
N-ethyl-N'-[3-(ethylsulfonylamino)propyl]-3,5-dimethylpiperidine-1-carboximidamide
CID 111154529
3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylpropanamide
CID 111154267
N-ethyl-3,5-dimethyl-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 111983767
4-(3-chlorophenyl)-N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 111186948
1-cyclopentyl-2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 110991022
3-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N,N-diethylpropanamide
CID 111153753
N-ethyl-3,5-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 111154559
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111228110
N-ethyl-3,5-dimethyl-N'-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111153452

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide (CID 111153665) is N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide is CCN/C(=N\CCN1CCCS1(=O)=O)N1CC(C)CC(C)C1.
What is the InChIKey of N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide?
The InChIKey is WFPREJKRHNYODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2S/c1-4-16-15(18-11-13(2)10-14(3)12-18)17-6-8-19-7-5-9-22(19,20)21/h13-14H,4-12H2,1-3H3,(H,16,17).
What are the key properties of N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide?
N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide has a molecular weight of 330.50 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethyl-3,5-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111153665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).