6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline

C20H27N3O2S — CID 92887045

IUPAC6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(N3CCCCC3)ccc2c1
InChIInChI=1S/C20H27N3O2S/c1-16-7-3-6-14-23(16)26(24,25)18-9-10-19-17(15-18)8-11-20(21-19)22-12-4-2-5-13-22/h8-11,15-16H,2-7,12-14H2,1H3/t16-/m1/s1
InChIKeyMASZISSBJZMRCT-MRXNPFEDSA-N
MW373.52 g/mol
LogP3.79
Rot. Bonds3

About 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline

6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline (PubChem CID 92887045) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline.

Molecular Properties

Compound Name6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline
PubChem CID92887045
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(N3CCCCC3)ccc2c1
InChIInChI=1S/C20H27N3O2S/c1-16-7-3-6-14-23(16)26(24,25)18-9-10-19-17(15-18)8-11-20(21-19)22-12-4-2-5-13-22/h8-11,15-16H,2-7,12-14H2,1H3/t16-/m1/s1
InChIKeyMASZISSBJZMRCT-MRXNPFEDSA-N
XLogP3.79
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline 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

2-(azepan-1-yl)-6-[(2S)-2-methylpiperidin-1-yl]sulfonylquinoline
CID 92864402
2-(azepan-1-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline
CID 46283450
2-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(2-methylpiperidin-1-yl)sulfonylquinoline
CID 50760442
2-(2,3-dihydroindol-1-yl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinoline
CID 92887015
6-(2-methylpyrrolidin-1-yl)sulfonylquinolin-2-amine
CID 62162789
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine
CID 92887004
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
(3S)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid
CID 92863878
2-(2-methylpiperidin-1-yl)sulfonylanthracene-9,10-dione
CID 3801619
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
[6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-1,3-benzothiazol-2-yl]hydrazine
CID 99966649

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline?
The IUPAC name of 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline (CID 92887045) is 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline.
What is the SMILES notation for 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline?
The canonical SMILES for 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline is C[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(N3CCCCC3)ccc2c1.
What is the InChIKey of 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline?
The InChIKey is MASZISSBJZMRCT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-16-7-3-6-14-23(16)26(24,25)18-9-10-19-17(15-18)8-11-20(21-19)22-12-4-2-5-13-22/h8-11,15-16H,2-7,12-14H2,1H3/t16-/m1/s1.
What are the key properties of 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline?
6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline has a molecular weight of 373.52 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-piperidin-1-ylquinoline is sourced from PubChem (CID 92887045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).