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

C13H20N2O2S — CID 63902148

IUPAC2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)18(16,17)15-12-5-4-10-6-7-14-9-11(10)8-12/h4-5,8,14-15H,6-7,9H2,1-3H3
InChIKeyHVRSIZRVRGFNKV-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.87
Rot. Bonds2

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

2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide (PubChem CID 63902148) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide
PubChem CID63902148
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)18(16,17)15-12-5-4-10-6-7-14-9-11(10)8-12/h4-5,8,14-15H,6-7,9H2,1-3H3
InChIKeyHVRSIZRVRGFNKV-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide
CID 105361396
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)butane-1-sulfonamide
CID 63901962
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
CID 63900725
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
CID 63902333
2,5-dibromo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-3-sulfonamide
CID 63900723
ethyl 2-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfamoyl)acetate
CID 63900518
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,3-thiazole-5-sulfonamide
CID 103415147
3,5-dimethyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 63901960
7-[[butyl(methyl)sulfamoyl]amino]-1,2,3,4-tetrahydroisoquinoline
CID 63899504
4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-3H-1,3-thiazole-5-sulfonamide
CID 63901970
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide (CID 63902148) is 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide is CC(C)(C)S(=O)(=O)Nc1ccc2c(c1)CNCC2.
What is the InChIKey of 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide?
The InChIKey is HVRSIZRVRGFNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2,3)18(16,17)15-12-5-4-10-6-7-14-9-11(10)8-12/h4-5,8,14-15H,6-7,9H2,1-3H3.
What are the key properties of 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide?
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide is sourced from PubChem (CID 63902148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).