N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C14H18N4O2S — CID 64518866

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H18N4O2S/c1-18(10-14-16-7-8-17-14)21(19,20)12-4-5-13-11(9-12)3-2-6-15-13/h4-5,7-9,15H,2-3,6,10H2,1H3,(H,16,17)
InChIKeyJXRBSFYDIJQICD-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.59
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide (PubChem CID 64518866) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
PubChem CID64518866
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H18N4O2S/c1-18(10-14-16-7-8-17-14)21(19,20)12-4-5-13-11(9-12)3-2-6-15-13/h4-5,7-9,15H,2-3,6,10H2,1H3,(H,16,17)
InChIKeyJXRBSFYDIJQICD-UHFFFAOYSA-N
XLogP1.59
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-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-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide (CID 64518866) is N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
The InChIKey is JXRBSFYDIJQICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18(10-14-16-7-8-17-14)21(19,20)12-4-5-13-11(9-12)3-2-6-15-13/h4-5,7-9,15H,2-3,6,10H2,1H3,(H,16,17).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-sulfonamide is sourced from PubChem (CID 64518866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).