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

C14H22N2O2S — CID 63901962

IUPAC3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C14H22N2O2S/c1-11(2)6-8-19(17,18)16-14-4-3-12-5-7-15-10-13(12)9-14/h3-4,9,11,15-16H,5-8,10H2,1-2H3
InChIKeyYISVWZKSQUFQLK-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.12
Rot. Bonds5

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

3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide (PubChem CID 63901962) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide
PubChem CID63901962
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C14H22N2O2S/c1-11(2)6-8-19(17,18)16-14-4-3-12-5-7-15-10-13(12)9-14/h3-4,9,11,15-16H,5-8,10H2,1-2H3
InChIKeyYISVWZKSQUFQLK-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfamoyl)acetate
CID 63900518
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
4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 11163741
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide
CID 105361396
7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline
CID 63899504
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
CID 63900725
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054
N-(3,4-dicyanophenyl)-3-methylbutane-1-sulfonamide
CID 107796552
4-propan-2-yl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzenesulfonamide
CID 67227253
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
CID 63902333

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide?
The IUPAC name of 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide (CID 63901962) is 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide?
The canonical SMILES for 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide is CC(C)CCS(=O)(=O)Nc1ccc2c(c1)CNCC2.
What is the InChIKey of 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide?
The InChIKey is YISVWZKSQUFQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(2)6-8-19(17,18)16-14-4-3-12-5-7-15-10-13(12)9-14/h3-4,9,11,15-16H,5-8,10H2,1-2H3.
What are the key properties of 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide?
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide is sourced from PubChem (CID 63901962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).