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

C14H21N3O2S — CID 63900725

IUPACN-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CNCC2)N1CCCCC1
InChIInChI=1S/C14H21N3O2S/c18-20(19,17-8-2-1-3-9-17)16-14-5-4-12-6-7-15-11-13(12)10-14/h4-5,10,15-16H,1-3,6-9,11H2
InChIKeyGNZGKIOWUKURET-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.47
Rot. Bonds3

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

N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide (PubChem CID 63900725) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
PubChem CID63900725
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)CNCC2)N1CCCCC1
InChIInChI=1S/C14H21N3O2S/c18-20(19,17-8-2-1-3-9-17)16-14-5-4-12-6-7-15-11-13(12)10-14/h4-5,10,15-16H,1-3,6-9,11H2
InChIKeyGNZGKIOWUKURET-UHFFFAOYSA-N
XLogP1.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
CID 63902333
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
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide
CID 63901962
N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606927
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933
N-(2-oxo-3,4-dihydro-1,4-benzoxazin-6-yl)piperidine-1-sulfonamide
CID 16764818
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 12606928
4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 11163741
N-(3-aminophenyl)piperidine-1-sulfonamide
CID 28783328

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide (CID 63900725) is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide is O=S(=O)(Nc1ccc2c(c1)CNCC2)N1CCCCC1.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide?
The InChIKey is GNZGKIOWUKURET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-20(19,17-8-2-1-3-9-17)16-14-5-4-12-6-7-15-11-13(12)10-14/h4-5,10,15-16H,1-3,6-9,11H2.
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide?
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide has a molecular weight of 295.41 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 63900725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).