3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

C10H14N2O3S — CID 10263774

IUPAC3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CNC(CO)C2
InChIInChI=1S/C10H14N2O3S/c11-16(14,15)10-2-1-7-3-9(6-13)12-5-8(7)4-10/h1-2,4,9,12-13H,3,5-6H2,(H2,11,14,15)
InChIKeyNCMRRZQCMRUVIY-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.66
Rot. Bonds2

About 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (PubChem CID 10263774) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
PubChem CID10263774
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CNC(CO)C2
InChIInChI=1S/C10H14N2O3S/c11-16(14,15)10-2-1-7-3-9(6-13)12-5-8(7)4-10/h1-2,4,9,12-13H,3,5-6H2,(H2,11,14,15)
InChIKeyNCMRRZQCMRUVIY-UHFFFAOYSA-N
XLogP-0.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-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 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (CID 10263774) is 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CNC(CO)C2.
What is the InChIKey of 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The InChIKey is NCMRRZQCMRUVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c11-16(14,15)10-2-1-7-3-9(6-13)12-5-8(7)4-10/h1-2,4,9,12-13H,3,5-6H2,(H2,11,14,15).
What are the key properties of 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide has a molecular weight of 242.30 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is sourced from PubChem (CID 10263774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).