N-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide

C13H18N2O3S — CID 80713947

IUPACN-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
SMILESO=S(=O)(NC1CCOC1)c1cccc2c1CCNC2
InChIInChI=1S/C13H18N2O3S/c16-19(17,15-11-5-7-18-9-11)13-3-1-2-10-8-14-6-4-12(10)13/h1-3,11,14-15H,4-9H2
InChIKeyJFZJNLTZJAGFGT-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.40
Rot. Bonds3

About N-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide

N-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide (PubChem CID 80713947) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
PubChem CID80713947
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
SMILESO=S(=O)(NC1CCOC1)c1cccc2c1CCNC2
InChIInChI=1S/C13H18N2O3S/c16-19(17,15-11-5-7-18-9-11)13-3-1-2-10-8-14-6-4-12(10)13/h1-3,11,14-15H,4-9H2
InChIKeyJFZJNLTZJAGFGT-UHFFFAOYSA-N
XLogP0.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride
CID 110209411
N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
CID 43611266
1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride
CID 112756658
N-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
CID 83016408
2-(oxolan-3-ylsulfamoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid
CID 56740313
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
N-[1-(dimethylamino)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
CID 82939246
N-(2-ethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
CID 43591485
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
1-N-(oxolan-3-yl)-2-N-(1,3,4-thiadiazol-2-yl)benzene-1,2-disulfonamide
CID 126817083
N-(oxolan-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982525

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The IUPAC name of N-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide (CID 80713947) is N-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide.
What is the SMILES notation for N-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The canonical SMILES for N-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide is O=S(=O)(NC1CCOC1)c1cccc2c1CCNC2.
What is the InChIKey of N-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The InChIKey is JFZJNLTZJAGFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-19(17,15-11-5-7-18-9-11)13-3-1-2-10-8-14-6-4-12(10)13/h1-3,11,14-15H,4-9H2.
What are the key properties of N-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
N-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide has a molecular weight of 282.36 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide is sourced from PubChem (CID 80713947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).