N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide

C12H14N2O2S — CID 131936529

IUPACN-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide
SMILESCN(Cc1cccc2cnccc12)S(C)(=O)=O
InChIInChI=1S/C12H14N2O2S/c1-14(17(2,15)16)9-11-5-3-4-10-8-13-7-6-12(10)11/h3-8H,9H2,1-2H3
InChIKeyFUJZKFBWPQDYPY-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.63
Rot. Bonds3

About N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide

N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide (PubChem CID 131936529) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide
PubChem CID131936529
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide
SMILESCN(Cc1cccc2cnccc12)S(C)(=O)=O
InChIInChI=1S/C12H14N2O2S/c1-14(17(2,15)16)9-11-5-3-4-10-8-13-7-6-12(10)11/h3-8H,9H2,1-2H3
InChIKeyFUJZKFBWPQDYPY-UHFFFAOYSA-N
XLogP1.63
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[benzylsulfamoyl(methyl)amino]methyl]isoquinoline
CID 56871516
N-(isoquinolin-5-ylmethyl)-N-methyl-1-propylpyrazole-4-sulfonamide
CID 131949499
6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide
CID 70722014
N-(dimethylsulfamoyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 47319808
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
N-(isoquinolin-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 70773424
3-acetamido-N-(isoquinolin-5-ylmethyl)-N-methylpropanamide
CID 131927016
1-(6-chloro-3-pyridinyl)-N-(isoquinolin-5-ylmethyl)-N-methylmethanamine
CID 56713738
N-(2-chloroethyl)-N-methylisoquinoline-5-sulfonamide
CID 63396436
2-isoquinolin-5-ylacetamide
CID 68785768
N-(isoquinolin-5-ylmethyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 70721639
N-(isoquinolin-5-ylmethyl)-N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 70747961

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide (CID 131936529) is N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide is CN(Cc1cccc2cnccc12)S(C)(=O)=O.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide?
The InChIKey is FUJZKFBWPQDYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-14(17(2,15)16)9-11-5-3-4-10-8-13-7-6-12(10)11/h3-8H,9H2,1-2H3.
What are the key properties of N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide?
N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide has a molecular weight of 250.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 131936529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).