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

C16H32N4O2S — CID 109490254

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCN2CCCS2(=O)=O)C1
InChIInChI=1S/C16H32N4O2S/c1-4-7-16(2)8-5-10-19(14-16)15(17-3)18-9-12-20-11-6-13-23(20,21)22/h4-14H2,1-3H3,(H,17,18)
InChIKeyHZFLVKJNOJKRTR-UHFFFAOYSA-N
MW344.53 g/mol
LogP1.50
Rot. Bonds5

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

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (PubChem CID 109490254) has the molecular formula C16H32N4O2S and a molecular weight of 344.53 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
PubChem CID109490254
Molecular FormulaC16H32N4O2S
Molecular Weight344.53 g/mol
Exact Mass344.22
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCN2CCCS2(=O)=O)C1
InChIInChI=1S/C16H32N4O2S/c1-4-7-16(2)8-5-10-19(14-16)15(17-3)18-9-12-20-11-6-13-23(20,21)22/h4-14H2,1-3H3,(H,17,18)
InChIKeyHZFLVKJNOJKRTR-UHFFFAOYSA-N
XLogP1.50
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 51.50
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'}

Analyze N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490616
2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide
CID 109490153
2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]-N-propylacetamide
CID 109490288
N',3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490397
N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490573
1-[4-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 109490841
N',3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490865
N-butan-2-yl-3-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 109490182
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-methyl-3-propylguanidine
CID 111226410
N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490733
N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide
CID 109490448

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (CID 109490254) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/C)NCCN2CCCS2(=O)=O)C1.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The InChIKey is HZFLVKJNOJKRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2S/c1-4-7-16(2)8-5-10-19(14-16)15(17-3)18-9-12-20-11-6-13-23(20,21)22/h4-14H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide has a molecular weight of 344.53 g/mol, XLogP of 1.50, 5 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',3-dimethyl-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).