N-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride

C20H21ClN2O4S — CID 119442179

IUPACN-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C1CCNCC1.Cl
InChIInChI=1S/C20H20N2O4S.ClH/c1-22(14-8-10-21-11-9-14)20(24)13-6-7-16-18(12-13)27(25,26)17-5-3-2-4-15(17)19(16)23;/h2-7,12,14,21H,8-11H2,1H3;1H
InChIKeyYJLJXCCTRDNQID-UHFFFAOYSA-N
MW420.92 g/mol
LogP2.31
Rot. Bonds2

About N-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride

N-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride (PubChem CID 119442179) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride
PubChem CID119442179
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC NameN-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride
SMILESCN(C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C1CCNCC1.Cl
InChIInChI=1S/C20H20N2O4S.ClH/c1-22(14-8-10-21-11-9-14)20(24)13-6-7-16-18(12-13)27(25,26)17-5-3-2-4-15(17)19(16)23;/h2-7,12,14,21H,8-11H2,1H3;1H
InChIKeyYJLJXCCTRDNQID-UHFFFAOYSA-N
XLogP2.31
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride?
The IUPAC name of N-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride (CID 119442179) is N-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride is CN(C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride?
The InChIKey is YJLJXCCTRDNQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S.ClH/c1-22(14-8-10-21-11-9-14)20(24)13-6-7-16-18(12-13)27(25,26)17-5-3-2-4-15(17)19(16)23;/h2-7,12,14,21H,8-11H2,1H3;1H.
What are the key properties of N-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride?
N-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride has a molecular weight of 420.92 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119442179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).