N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C13H20N2O2S — CID 110628085

IUPACN-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCNS(=O)(=O)N1CCc2ccccc2C1C(C)C
InChIInChI=1S/C13H20N2O2S/c1-10(2)13-12-7-5-4-6-11(12)8-9-15(13)18(16,17)14-3/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyYZRAIESDJKPYQH-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.71
Rot. Bonds3

About N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 110628085) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID110628085
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCNS(=O)(=O)N1CCc2ccccc2C1C(C)C
InChIInChI=1S/C13H20N2O2S/c1-10(2)13-12-7-5-4-6-11(12)8-9-15(13)18(16,17)14-3/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyYZRAIESDJKPYQH-UHFFFAOYSA-N
XLogP1.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 110628144
1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 12786685
3-methylsulfonyl-1-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 110628080
N,3-dimethyl-2-(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-1-amine
CID 116995636
ethyl 1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 10106025
1-(aminomethyl)-N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 114804954
N,N-dimethyl-4-(1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
CID 110288886
N-[3-oxo-3-(1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 110354331
(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 113369044
1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 110288949
2-(cyclopropylsulfamoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 114805857
2-[(1R)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-propan-2-ylacetamide
CID 92699860

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 110628085) is N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is CNS(=O)(=O)N1CCc2ccccc2C1C(C)C.
What is the InChIKey of N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is YZRAIESDJKPYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(2)13-12-7-5-4-6-11(12)8-9-15(13)18(16,17)14-3/h4-7,10,13-14H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 110628085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).