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

1-(5-Isoquinolinylsulfonyl)-2-Methylpiperazine
CID 3542
Fasudil
CID 3547
N-(2-Aminoethyl)isoquinoline-5-sulfonamide
CID 3544
Fasudil Hydrochloride
CID 163751
protein kinase inhibitor H89
CID 449241
N-(2-(Methylamino)ethyl)-5-isoquinolinesulfonamide
CID 3540
Ripasudil
CID 9863672
N-(2-Aminoethyl)-5-chloro-8-isoquinolinesulfonamide
CID 129236
H-1152
CID 448043
1-(5-Isoquinolinylsulfonyl)piperazine
CID 3545
N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide
CID 3546
iso-H 7
CID 1352

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).