3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline

C19H21N3O2S2 — CID 30598898

IUPAC3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline
SMILESCc1cnc2c(S(=O)(=O)N3CCN(Cc4cccs4)CC3)cccc2c1
InChIInChI=1S/C19H21N3O2S2/c1-15-12-16-4-2-6-18(19(16)20-13-15)26(23,24)22-9-7-21(8-10-22)14-17-5-3-11-25-17/h2-6,11-13H,7-10,14H2,1H3
InChIKeyCWGFCYQAYKBALX-UHFFFAOYSA-N
MW387.53 g/mol
LogP3.11
Rot. Bonds4

About 3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline

3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline (PubChem CID 30598898) has the molecular formula C19H21N3O2S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline
PubChem CID30598898
Molecular FormulaC19H21N3O2S2
Molecular Weight387.53 g/mol
Exact Mass387.11
IUPAC Name3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline
SMILESCc1cnc2c(S(=O)(=O)N3CCN(Cc4cccs4)CC3)cccc2c1
InChIInChI=1S/C19H21N3O2S2/c1-15-12-16-4-2-6-18(19(16)20-13-15)26(23,24)22-9-7-21(8-10-22)14-17-5-3-11-25-17/h2-6,11-13H,7-10,14H2,1H3
InChIKeyCWGFCYQAYKBALX-UHFFFAOYSA-N
XLogP3.11
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline 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-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylquinoline
CID 37088720
3-methyl-8-(4-prop-2-ynylpiperazin-1-yl)sulfonylquinoline
CID 86989080
3-[[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methyl]benzonitrile
CID 31992064
3-methyl-8-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]sulfonylquinoline
CID 37089838
N,N-diethyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 33346978
5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 133351886
3-methyl-8-[4-(5-pyrazol-1-ylpentyl)piperazin-1-yl]sulfonylquinoline
CID 56550580
N-cyclopentyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 46444315
(5-bromothiophen-2-yl)-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]methanone
CID 39276916
3-methyl-8-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]sulfonylquinoline
CID 34157363
2-[2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]ethoxy]benzonitrile
CID 55989762
N-(2-cyanoethyl)-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]acetamide
CID 37091540

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline?
The IUPAC name of 3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline (CID 30598898) is 3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline.
What is the SMILES notation for 3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline?
The canonical SMILES for 3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline is Cc1cnc2c(S(=O)(=O)N3CCN(Cc4cccs4)CC3)cccc2c1.
What is the InChIKey of 3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline?
The InChIKey is CWGFCYQAYKBALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2/c1-15-12-16-4-2-6-18(19(16)20-13-15)26(23,24)22-9-7-21(8-10-22)14-17-5-3-11-25-17/h2-6,11-13H,7-10,14H2,1H3.
What are the key properties of 3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline?
3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline has a molecular weight of 387.53 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylquinoline is sourced from PubChem (CID 30598898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).