1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride

C13H25ClN2O3S — CID 119826248

IUPAC1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CCS(=O)(=O)C1)C1CCNCC1.Cl
InChIInChI=1S/C13H24N2O3S.ClH/c1-2-8-15(12-3-6-14-7-4-12)13(16)11-5-9-19(17,18)10-11;/h11-12,14H,2-10H2,1H3;1H
InChIKeyAYFWGUAMFMTTMJ-UHFFFAOYSA-N
MW324.87 g/mol
LogP0.83
Rot. Bonds4

About 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride

1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride (PubChem CID 119826248) has the molecular formula C13H25ClN2O3S and a molecular weight of 324.87 g/mol. Its IUPAC name is 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride
PubChem CID119826248
Molecular FormulaC13H25ClN2O3S
Molecular Weight324.87 g/mol
Exact Mass324.13
IUPAC Name1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CCS(=O)(=O)C1)C1CCNCC1.Cl
InChIInChI=1S/C13H24N2O3S.ClH/c1-2-8-15(12-3-6-14-7-4-12)13(16)11-5-9-19(17,18)10-11;/h11-12,14H,2-10H2,1H3;1H
InChIKeyAYFWGUAMFMTTMJ-UHFFFAOYSA-N
XLogP0.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.87
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1,1-dioxo-N-pyrrolidin-3-ylthiolane-3-carboxamide
CID 63299474
N-(1,1-dioxothiolan-3-yl)-N-propylpiperidine-3-carboxamide
CID 119268053
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
N-piperidin-4-yl-N-propyloxolane-3-carboxamide;hydrochloride
CID 119823621
N-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 60937621
N-(2-chloroethyl)-N-cyclopentyl-1,1-dioxothiolane-3-carboxamide
CID 64906251
N-cyclohexyl-N-(2-hydroxyethyl)-1,1-dioxothiolane-3-carboxamide
CID 54942759
N-(2-chloroethyl)-1,1-dioxo-N-propylthiolane-3-carboxamide
CID 64906671
N-piperidin-4-yl-N-propylcyclohex-3-ene-1-carboxamide
CID 60805911
6-oxo-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119825568
2-methyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide
CID 60806583
1-methyl-N-propyl-N-pyrrolidin-3-ylpiperidine-4-carboxamide
CID 119533022

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride?
The IUPAC name of 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride (CID 119826248) is 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride.
What is the SMILES notation for 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride?
The canonical SMILES for 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride is CCCN(C(=O)C1CCS(=O)(=O)C1)C1CCNCC1.Cl.
What is the InChIKey of 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride?
The InChIKey is AYFWGUAMFMTTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S.ClH/c1-2-8-15(12-3-6-14-7-4-12)13(16)11-5-9-19(17,18)10-11;/h11-12,14H,2-10H2,1H3;1H.
What are the key properties of 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride?
1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride has a molecular weight of 324.87 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-piperidin-4-yl-N-propylthiolane-3-carboxamide;hydrochloride is sourced from PubChem (CID 119826248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).