N-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride

C14H21Cl2N3O2S — CID 57411489

IUPACN-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride
SMILESCCNC[C@@H](C)NS(=O)(=O)c1ccc2cnccc2c1.Cl.Cl
InChIInChI=1S/C14H19N3O2S.2ClH/c1-3-15-9-11(2)17-20(18,19)14-5-4-13-10-16-7-6-12(13)8-14;;/h4-8,10-11,15,17H,3,9H2,1-2H3;2*1H/t11-;;/m1../s1
InChIKeyJXPAXTGGWXRKEG-NVJADKKVSA-N
MW366.31 g/mol
LogP2.35
Rot. Bonds6

About N-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride

N-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride (PubChem CID 57411489) has the molecular formula C14H21Cl2N3O2S and a molecular weight of 366.31 g/mol. Its IUPAC name is N-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride
PubChem CID57411489
Molecular FormulaC14H21Cl2N3O2S
Molecular Weight366.31 g/mol
Exact Mass365.07
IUPAC NameN-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride
SMILESCCNC[C@@H](C)NS(=O)(=O)c1ccc2cnccc2c1.Cl.Cl
InChIInChI=1S/C14H19N3O2S.2ClH/c1-3-15-9-11(2)17-20(18,19)14-5-4-13-10-16-7-6-12(13)8-14;;/h4-8,10-11,15,17H,3,9H2,1-2H3;2*1H/t11-;;/m1../s1
InChIKeyJXPAXTGGWXRKEG-NVJADKKVSA-N
XLogP2.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(prop-2-enylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride
CID 76527234
N-[(2S)-1-(but-2-enylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride
CID 141334118
N-[1-(2-phenylethylamino)propan-2-yl]isoquinoline-6-sulfonamide
CID 76534593
N-[1-[(2-hydroxy-2-phenylpropyl)amino]propan-2-yl]isoquinoline-6-sulfonamide;hydrochloride
CID 76527298
N-[1-[2-(4-pyridin-4-ylphenyl)ethylamino]propan-2-yl]isoquinoline-6-sulfonamide
CID 76527354
N-[1-[3-(4-bromophenyl)prop-2-enylamino]propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride
CID 142717137
N-[1-(4-methylphenyl)propyl]isoquinoline-6-sulfonamide
CID 164954176
N-[1-[4-(hydroxymethyl)phenyl]propyl]isoquinoline-6-sulfonamide
CID 164954177
N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide
CID 163796605
N-sulfanylisoquinoline-7-sulfonamide
CID 147616091
N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
CID 31481331
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride?
The IUPAC name of N-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride (CID 57411489) is N-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride.
What is the SMILES notation for N-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride?
The canonical SMILES for N-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride is CCNC[C@@H](C)NS(=O)(=O)c1ccc2cnccc2c1.Cl.Cl.
What is the InChIKey of N-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride?
The InChIKey is JXPAXTGGWXRKEG-NVJADKKVSA-N. The full InChI is InChI=1S/C14H19N3O2S.2ClH/c1-3-15-9-11(2)17-20(18,19)14-5-4-13-10-16-7-6-12(13)8-14;;/h4-8,10-11,15,17H,3,9H2,1-2H3;2*1H/t11-;;/m1../s1.
What are the key properties of N-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride?
N-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride has a molecular weight of 366.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(ethylamino)propan-2-yl]isoquinoline-6-sulfonamide;dihydrochloride is sourced from PubChem (CID 57411489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).