N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride

C11H22ClN3O3S — CID 119310346

IUPACN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCCS1(=O)=O)C1CCCNC1
InChIInChI=1S/C11H21N3O3S.ClH/c15-11(10-3-1-4-12-9-10)13-5-7-14-6-2-8-18(14,16)17;/h10,12H,1-9H2,(H,13,15);1H
InChIKeyNTGSQZQBQXUIPC-UHFFFAOYSA-N
MW311.84 g/mol
LogP-0.44
Rot. Bonds4

About N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride

N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119310346) has the molecular formula C11H22ClN3O3S and a molecular weight of 311.84 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119310346
Molecular FormulaC11H22ClN3O3S
Molecular Weight311.84 g/mol
Exact Mass311.11
IUPAC NameN-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCCS1(=O)=O)C1CCCNC1
InChIInChI=1S/C11H21N3O3S.ClH/c15-11(10-3-1-4-12-9-10)13-5-7-14-6-2-8-18(14,16)17;/h10,12H,1-9H2,(H,13,15);1H
InChIKeyNTGSQZQBQXUIPC-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

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Related Compounds

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide
CID 110720877
N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride
CID 119901172
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557552
N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119831193
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 119901768
(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 81123639
N-[3-(azepan-1-yl)-3-oxopropyl]piperidine-3-carboxamide;hydrochloride
CID 119310932
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119459993
N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901823
(3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94888300

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride (CID 119310346) is N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCCN1CCCS1(=O)=O)C1CCCNC1.
What is the InChIKey of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is NTGSQZQBQXUIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S.ClH/c15-11(10-3-1-4-12-9-10)13-5-7-14-6-2-8-18(14,16)17;/h10,12H,1-9H2,(H,13,15);1H.
What are the key properties of N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride?
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;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 N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119310346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).