3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one

C19H18N2O4S — CID 2331605

IUPAC3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one
SMILESCN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1
InChIInChI=1S/C19H18N2O4S/c1-20-8-10-21(11-9-20)19(23)13-6-7-15-17(12-13)26(24,25)16-5-3-2-4-14(16)18(15)22/h2-7,12H,8-11H2,1H3
InChIKeyHNJFCUWJWJUWMC-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.45
Rot. Bonds1

About 3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one

3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one (PubChem CID 2331605) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one.

Molecular Properties

Compound Name3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one
PubChem CID2331605
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC Name3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one
SMILESCN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1
InChIInChI=1S/C19H18N2O4S/c1-20-8-10-21(11-9-20)19(23)13-6-7-15-17(12-13)26(24,25)16-5-3-2-4-14(16)18(15)22/h2-7,12H,8-11H2,1H3
InChIKeyHNJFCUWJWJUWMC-UHFFFAOYSA-N
XLogP1.45
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one 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-[4-(methylamino)piperidine-1-carbonyl]-10,10-dioxothioxanthen-9-one;hydrochloride
CID 119561026
1-(9,10,10-trioxothioxanthene-3-carbonyl)piperidine-4-carboxylic acid
CID 119166682
3-(1,4-diazepane-1-carbonyl)-10,10-dioxothioxanthen-9-one
CID 119415498
3-(3-methylpiperidine-1-carbonyl)-10,10-dioxothioxanthen-9-one
CID 51149503
10,10-dioxo-3-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]thioxanthen-9-one
CID 24747337
3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)-10,10-dioxothioxanthen-9-one
CID 2307108
3-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-10,10-dioxothioxanthen-9-one
CID 7689733
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one
CID 2307091
2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)anthracene-9,10-dione
CID 169240438
cyclopentyl 9,10,10-trioxothioxanthene-3-carboxylate
CID 17469972
(3,4-dimethylphenyl) 9,10,10-trioxothioxanthene-3-carboxylate
CID 9097303
(2-bromophenyl) 9,10,10-trioxothioxanthene-3-carboxylate
CID 17391386

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one?
The IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one (CID 2331605) is 3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one.
What is the SMILES notation for 3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one?
The canonical SMILES for 3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one is CN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1.
What is the InChIKey of 3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one?
The InChIKey is HNJFCUWJWJUWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-20-8-10-21(11-9-20)19(23)13-6-7-15-17(12-13)26(24,25)16-5-3-2-4-14(16)18(15)22/h2-7,12H,8-11H2,1H3.
What are the key properties of 3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one?
3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one has a molecular weight of 370.43 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one is sourced from PubChem (CID 2331605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).