4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide

C15H23N3O2S — CID 63902333

IUPAC4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccc3c(c2)CNCC3)CC1
InChIInChI=1S/C15H23N3O2S/c1-12-5-8-18(9-6-12)21(19,20)17-15-3-2-13-4-7-16-11-14(13)10-15/h2-3,10,12,16-17H,4-9,11H2,1H3
InChIKeyMOXWAHOIXLOPFB-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.72
Rot. Bonds3

About 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide

4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide (PubChem CID 63902333) 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-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
PubChem CID63902333
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)Nc2ccc3c(c2)CNCC3)CC1
InChIInChI=1S/C15H23N3O2S/c1-12-5-8-18(9-6-12)21(19,20)17-15-3-2-13-4-7-16-11-14(13)10-15/h2-3,10,12,16-17H,4-9,11H2,1H3
InChIKeyMOXWAHOIXLOPFB-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
CID 63900725
4-methyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)piperidine-1-sulfonamide
CID 63930609
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide
CID 79163467
N-(4-iodophenyl)-4-methylpiperidine-1-sulfonamide
CID 61400325
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide
CID 105361396
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide
CID 63902148
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
2-hydroxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 29297612
4-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 28784299
2-bromo-5-[(4-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 115295978
N-[3-(aminomethyl)-4-fluorophenyl]-4-methylpiperidine-1-sulfonamide
CID 62316606
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide
CID 63901962

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide (CID 63902333) is 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide is CC1CCN(S(=O)(=O)Nc2ccc3c(c2)CNCC3)CC1.
What is the InChIKey of 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide?
The InChIKey is MOXWAHOIXLOPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-12-5-8-18(9-6-12)21(19,20)17-15-3-2-13-4-7-16-11-14(13)10-15/h2-3,10,12,16-17H,4-9,11H2,1H3.
What are the key properties of 4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide?
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.72, 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-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 63902333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).