N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C12H19N3O2S — CID 104873267

IUPACN-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESC[C@H](CN)NS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C12H19N3O2S/c1-10(8-13)14-18(16,17)15-7-6-11-4-2-3-5-12(11)9-15/h2-5,10,14H,6-9,13H2,1H3/t10-/m1/s1
InChIKeyLYQRBDQECQHJKR-SNVBAGLBSA-N
MW269.37 g/mol
LogP0.23
Rot. Bonds4

About N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 104873267) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID104873267
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESC[C@H](CN)NS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C12H19N3O2S/c1-10(8-13)14-18(16,17)15-7-6-11-4-2-3-5-12(11)9-15/h2-5,10,14H,6-9,13H2,1H3/t10-/m1/s1
InChIKeyLYQRBDQECQHJKR-SNVBAGLBSA-N
XLogP0.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 104873267) is N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is C[C@H](CN)NS(=O)(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is LYQRBDQECQHJKR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10(8-13)14-18(16,17)15-7-6-11-4-2-3-5-12(11)9-15/h2-5,10,14H,6-9,13H2,1H3/t10-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 104873267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).