N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide

C12H13N3O2S — CID 43597051

IUPACN-(2-aminocyclopropyl)isoquinoline-5-sulfonamide
SMILESNC1CC1NS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C12H13N3O2S/c13-10-6-11(10)15-18(16,17)12-3-1-2-8-7-14-5-4-9(8)12/h1-5,7,10-11,15H,6,13H2
InChIKeyMHQIWCWOTZTINS-UHFFFAOYSA-N
MW263.32 g/mol
LogP0.61
Rot. Bonds3

About N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide

N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide (PubChem CID 43597051) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)isoquinoline-5-sulfonamide
PubChem CID43597051
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(2-aminocyclopropyl)isoquinoline-5-sulfonamide
SMILESNC1CC1NS(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C12H13N3O2S/c13-10-6-11(10)15-18(16,17)12-3-1-2-8-7-14-5-4-9(8)12/h1-5,7,10-11,15H,6,13H2
InChIKeyMHQIWCWOTZTINS-UHFFFAOYSA-N
XLogP0.61
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[isoquinolin-5-ylsulfonyl(methyl)amino]cyclohexyl]isoquinoline-5-sulfonamide
CID 67873381
N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide
CID 126775893
isoquinoline-5-sulfonamide;trihydrochloride
CID 140968257
N-[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]isoquinoline-5-sulfonamide
CID 129481887
N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791
N-(1-bromobutan-2-yl)isoquinoline-5-sulfonamide
CID 113271950
ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate
CID 25043133
2,4-dimethylpyrrolidine;N-methylisoquinoline-5-sulfonamide
CID 142995207
cis-(1S,2R)-N-isoquinolin-5-ylsulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 99604975
N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide
CID 25040448
N-[1-(hydroxymethyl)cyclopropyl]isoquinoline-5-sulfonamide
CID 115902811
methyl 5-[(2R,3S)-3-(isoquinolin-5-ylsulfonylamino)-1-methylsulfonylpyrrolidin-2-yl]pentanoate
CID 57132979

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide?
The IUPAC name of N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide (CID 43597051) is N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide.
What is the SMILES notation for N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide?
The canonical SMILES for N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide is NC1CC1NS(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide?
The InChIKey is MHQIWCWOTZTINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-10-6-11(10)15-18(16,17)12-3-1-2-8-7-14-5-4-9(8)12/h1-5,7,10-11,15H,6,13H2.
What are the key properties of N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide?
N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide has a molecular weight of 263.32 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)isoquinoline-5-sulfonamide is sourced from PubChem (CID 43597051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).