N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide

C15H23N3O2S — CID 104773789

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2cccc3c2CCCN3)C1
InChIInChI=1S/C15H23N3O2S/c1-18-9-7-12(11-18)10-17-21(19,20)15-6-2-5-14-13(15)4-3-8-16-14/h2,5-6,12,16-17H,3-4,7-11H2,1H3
InChIKeyGFXVEOSOBKKGMN-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.27
Rot. Bonds4

About N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide

N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide (PubChem CID 104773789) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
PubChem CID104773789
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide
SMILESCN1CCC(CNS(=O)(=O)c2cccc3c2CCCN3)C1
InChIInChI=1S/C15H23N3O2S/c1-18-9-7-12(11-18)10-17-21(19,20)15-6-2-5-14-13(15)4-3-8-16-14/h2,5-6,12,16-17H,3-4,7-11H2,1H3
InChIKeyGFXVEOSOBKKGMN-UHFFFAOYSA-N
XLogP1.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-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-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide (CID 104773789) is N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide is CN1CCC(CNS(=O)(=O)c2cccc3c2CCCN3)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
The InChIKey is GFXVEOSOBKKGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-18-9-7-12(11-18)10-17-21(19,20)15-6-2-5-14-13(15)4-3-8-16-14/h2,5-6,12,16-17H,3-4,7-11H2,1H3.
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide?
N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide has a molecular weight of 309.44 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-sulfonamide is sourced from PubChem (CID 104773789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).