N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide

C15H20N2O2S — CID 25040448

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc2cnccc12)C(C)(C)C
InChIInChI=1S/C15H20N2O2S/c1-11(15(2,3)4)17-20(18,19)14-7-5-6-12-10-16-9-8-13(12)14/h5-11,17H,1-4H3/t11-/m1/s1
InChIKeySXCQQFQOFSTDFX-LLVKDONJSA-N
MW292.40 g/mol
LogP2.95
Rot. Bonds3

About N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide

N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide (PubChem CID 25040448) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide
PubChem CID25040448
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc2cnccc12)C(C)(C)C
InChIInChI=1S/C15H20N2O2S/c1-11(15(2,3)4)17-20(18,19)14-7-5-6-12-10-16-9-8-13(12)14/h5-11,17H,1-4H3/t11-/m1/s1
InChIKeySXCQQFQOFSTDFX-LLVKDONJSA-N
XLogP2.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(isoquinolin-5-ylsulfonylamino)-3-methylbutanoic acid
CID 79009316
(2R)-2-(isoquinolin-5-ylsulfonylamino)propanoic acid
CID 54991574
6-amino-N-(3,3-dimethylbutan-2-yl)naphthalene-1-sulfonamide
CID 104828899
N-(1-bromobutan-2-yl)isoquinoline-5-sulfonamide
CID 113271950
N-(4-hydroxy-2,2-dimethylpentyl)isoquinoline-5-sulfonamide
CID 84599044
[2-(isoquinolin-5-ylsulfonylamino)-3,3-dimethylbutyl] carbamate
CID 175382534
N-(3-hydroxy-2,2-dimethylpropyl)isoquinoline-5-sulfonamide
CID 115363092
2-(isoquinolin-5-ylsulfonylamino)-2-methylpropanoic acid
CID 61263233
N-(3-hydroxybutyl)isoquinoline-5-sulfonamide
CID 64910604
(2S)-N-isoquinolin-5-ylsulfonyl-2-methoxypropanamide
CID 95304570
N-isoquinolin-5-ylsulfonyl-2-methoxypropanamide
CID 102556814
(2R)-2-(isoquinolin-5-ylsulfonylamino)pentanoic acid
CID 104935427

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide (CID 25040448) is N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide is C[C@@H](NS(=O)(=O)c1cccc2cnccc12)C(C)(C)C.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide?
The InChIKey is SXCQQFQOFSTDFX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11(15(2,3)4)17-20(18,19)14-7-5-6-12-10-16-9-8-13(12)14/h5-11,17H,1-4H3/t11-/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide?
N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethylbutan-2-yl]isoquinoline-5-sulfonamide is sourced from PubChem (CID 25040448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).