N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide

C15H21N3O2S — CID 79646274

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H21N3O2S/c1-15(2,10-16)11-18(3)21(19,20)14-6-4-5-12-9-17-8-7-13(12)14/h4-9H,10-11,16H2,1-3H3
InChIKeyBRDMRZWSCDPEJX-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.84
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide

N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide (PubChem CID 79646274) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide
PubChem CID79646274
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide
SMILESCN(CC(C)(C)CN)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H21N3O2S/c1-15(2,10-16)11-18(3)21(19,20)14-6-4-5-12-9-17-8-7-13(12)14/h4-9H,10-11,16H2,1-3H3
InChIKeyBRDMRZWSCDPEJX-UHFFFAOYSA-N
XLogP1.84
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-methylisoquinoline-5-sulfonamide
CID 63396436
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
CID 119991402
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-5-sulfonamide;hydrochloride
CID 119991474
methyl 2-[isoquinolin-5-ylsulfonyl(methyl)amino]acetate
CID 43624250
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79652133
3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine
CID 82576951
N-(3-amino-2,2-dimethylpropyl)-2-bromo-N-methylbenzenesulfonamide
CID 79652331
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 119991411
N-methyl-N-pyridin-2-ylisoquinoline-5-sulfonamide
CID 23740061
N-(4-aminobutyl)-N-hexylisoquinoline-5-sulfonamide
CID 14326788
N-(3-aminopropyl)-N-hexylisoquinoline-5-sulfonamide
CID 14326787
isoquinoline-5-sulfonamide;trihydrochloride
CID 140968257

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide (CID 79646274) is N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide is CN(CC(C)(C)CN)S(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide?
The InChIKey is BRDMRZWSCDPEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(2,10-16)11-18(3)21(19,20)14-6-4-5-12-9-17-8-7-13(12)14/h4-9H,10-11,16H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide?
N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide is sourced from PubChem (CID 79646274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).