4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide

C15H23N3O2S — CID 29274184

IUPAC4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2cccc3c2NCCC3)CC1
InChIInChI=1S/C15H23N3O2S/c1-12-7-10-18(11-8-12)21(19,20)17-14-6-2-4-13-5-3-9-16-15(13)14/h2,4,6,12,16-17H,3,5,7-11H2,1H3
InChIKeyYGPMIFCYPIWQNX-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.43
Rot. Bonds3

About 4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide

4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide (PubChem CID 29274184) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide
PubChem CID29274184
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2cccc3c2NCCC3)CC1
InChIInChI=1S/C15H23N3O2S/c1-12-7-10-18(11-8-12)21(19,20)17-14-6-2-4-13-5-3-9-16-15(13)14/h2,4,6,12,16-17H,3,5,7-11H2,1H3
InChIKeyYGPMIFCYPIWQNX-UHFFFAOYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide (CID 29274184) is 4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide is CC1CCN(S(=O)(=O)Nc2cccc3c2NCCC3)CC1.
What is the InChIKey of 4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide?
The InChIKey is YGPMIFCYPIWQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-12-7-10-18(11-8-12)21(19,20)17-14-6-2-4-13-5-3-9-16-15(13)14/h2,4,6,12,16-17H,3,5,7-11H2,1H3.
What are the key properties of 4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide?
4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide has a molecular weight of 309.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 29274184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).