N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide

C15H19N3O2S — CID 102874432

IUPACN-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide
SMILESNCCN(C1CCC1)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H19N3O2S/c16-8-10-18(13-4-2-5-13)21(19,20)15-6-1-3-12-11-17-9-7-14(12)15/h1,3,6-7,9,11,13H,2,4-5,8,10,16H2
InChIKeyVRUDTZURPVCCPF-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.74
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide

N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide (PubChem CID 102874432) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide
PubChem CID102874432
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide
SMILESNCCN(C1CCC1)S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C15H19N3O2S/c16-8-10-18(13-4-2-5-13)21(19,20)15-6-1-3-12-11-17-9-7-14(12)15/h1,3,6-7,9,11,13H,2,4-5,8,10,16H2
InChIKeyVRUDTZURPVCCPF-UHFFFAOYSA-N
XLogP1.74
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminobutyl)-N-(2-cyclopentylethyl)isoquinoline-5-sulfonamide
CID 71376939
N-(2-chloroethyl)-N-cyclobutylnaphthalene-1-sulfonamide
CID 102873634
N-(2-bromoethyl)-N-cyclobutylnaphthalene-1-sulfonamide
CID 102873538
N-(2-chloroethyl)-N-methylisoquinoline-5-sulfonamide
CID 63396436
N-methyl-N-piperidin-4-ylisoquinoline-5-sulfonamide
CID 43606886
N-(4-aminobutyl)-N-hexylisoquinoline-5-sulfonamide
CID 14326788
N-(3-aminopropyl)-N-hexylisoquinoline-5-sulfonamide
CID 14326787
N-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)isoquinoline-5-sulfonamide
CID 71376957
N-(3-amino-2,2-dimethylpropyl)-N-methylisoquinoline-5-sulfonamide
CID 79646274
N-(3-aminopropyl)-N-(3-phenylpropyl)isoquinoline-5-sulfonamide;hydrochloride
CID 11293051
isoquinoline-5-sulfonamide;trihydrochloride
CID 140968257
(2-isoquinolin-5-ylcyclopentyl)methanamine
CID 81010560

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide (CID 102874432) is N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide is NCCN(C1CCC1)S(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide?
The InChIKey is VRUDTZURPVCCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c16-8-10-18(13-4-2-5-13)21(19,20)15-6-1-3-12-11-17-9-7-14(12)15/h1,3,6-7,9,11,13H,2,4-5,8,10,16H2.
What are the key properties of N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide?
N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide is sourced from PubChem (CID 102874432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).