2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline

C16H20N4O2S — CID 113013165

IUPAC2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C16H20N4O2S/c1-19(2)23(21,22)18-15-7-8-16(17-11-15)20-10-9-13-5-3-4-6-14(13)12-20/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyZSPZSOZRKJCAHV-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.86
Rot. Bonds4

About 2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline

2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 113013165) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
PubChem CID113013165
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCc3ccccc3C2)nc1
InChIInChI=1S/C16H20N4O2S/c1-19(2)23(21,22)18-15-7-8-16(17-11-15)20-10-9-13-5-3-4-6-14(13)12-20/h3-8,11,18H,9-10,12H2,1-2H3
InChIKeyZSPZSOZRKJCAHV-UHFFFAOYSA-N
XLogP1.86
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(dimethylsulfamoylamino)phenyl]-3,4-dihydro-1H-isoquinoline
CID 112983357
1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-2,3-dihydroindole
CID 113016627
methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate
CID 113013155
2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine
CID 113015482
1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine
CID 113016007
2-chloro-N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]benzamide
CID 113013137
1-cyclopropyl-3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]urea
CID 113013160
N-(4-acetamidophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109158394
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]cyclohexanecarboxamide
CID 113013105
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109158381
2-(4-chlorophenoxy)-N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]acetamide
CID 113013135
5-(3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80652373

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline (CID 113013165) is 2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline is CN(C)S(=O)(=O)Nc1ccc(N2CCc3ccccc3C2)nc1.
What is the InChIKey of 2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is ZSPZSOZRKJCAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-19(2)23(21,22)18-15-7-8-16(17-11-15)20-10-9-13-5-3-4-6-14(13)12-20/h3-8,11,18H,9-10,12H2,1-2H3.
What are the key properties of 2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline?
2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 332.43 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoylamino)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 113013165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).