2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

C11H22ClN3O3S — CID 119459993

IUPAC2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCCS1(=O)=O)NCC1CCCNC1
InChIInChI=1S/C11H21N3O3S.ClH/c15-11(9-14-5-2-6-18(14,16)17)13-8-10-3-1-4-12-7-10;/h10,12H,1-9H2,(H,13,15);1H
InChIKeyZRKHHSXPRMTTTA-UHFFFAOYSA-N
MW311.84 g/mol
LogP-0.44
Rot. Bonds4

About 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 119459993) has the molecular formula C11H22ClN3O3S and a molecular weight of 311.84 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID119459993
Molecular FormulaC11H22ClN3O3S
Molecular Weight311.84 g/mol
Exact Mass311.11
IUPAC Name2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCCS1(=O)=O)NCC1CCCNC1
InChIInChI=1S/C11H21N3O3S.ClH/c15-11(9-14-5-2-6-18(14,16)17)13-8-10-3-1-4-12-7-10;/h10,12H,1-9H2,(H,13,15);1H
InChIKeyZRKHHSXPRMTTTA-UHFFFAOYSA-N
XLogP-0.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride 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

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557552
N-[(4,4-difluorocyclohexyl)methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetamide
CID 136540557
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463720
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463240
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119310346
N-(piperidin-3-ylmethyl)azepane-1-carboxamide
CID 79152631
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512599
N-(piperidin-3-ylmethyl)-2-(tetrazol-1-yl)acetamide;hydrochloride
CID 119260132
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460597
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119463641

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 119459993) is 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is Cl.O=C(CN1CCCS1(=O)=O)NCC1CCCNC1.
What is the InChIKey of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is ZRKHHSXPRMTTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S.ClH/c15-11(9-14-5-2-6-18(14,16)17)13-8-10-3-1-4-12-7-10;/h10,12H,1-9H2,(H,13,15);1H.
What are the key properties of 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 311.84 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119459993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).