N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide

C18H27N3O2S — CID 70839107

IUPACN-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNCc1ccc2ccccc2n1
InChIInChI=1S/C18H27N3O2S/c1-15(2)24(22,23)20-13-7-3-6-12-19-14-17-11-10-16-8-4-5-9-18(16)21-17/h4-5,8-11,15,19-20H,3,6-7,12-14H2,1-2H3
InChIKeyQNUDMNQDQYXGJN-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.82
Rot. Bonds10

About N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide

N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide (PubChem CID 70839107) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide
PubChem CID70839107
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNCc1ccc2ccccc2n1
InChIInChI=1S/C18H27N3O2S/c1-15(2)24(22,23)20-13-7-3-6-12-19-14-17-11-10-16-8-4-5-9-18(16)21-17/h4-5,8-11,15,19-20H,3,6-7,12-14H2,1-2H3
InChIKeyQNUDMNQDQYXGJN-UHFFFAOYSA-N
XLogP2.82
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-(quinolin-2-ylmethylamino)pentyl]propane-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-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide?
The IUPAC name of N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide (CID 70839107) is N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCCCCNCc1ccc2ccccc2n1.
What is the InChIKey of N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide?
The InChIKey is QNUDMNQDQYXGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-15(2)24(22,23)20-13-7-3-6-12-19-14-17-11-10-16-8-4-5-9-18(16)21-17/h4-5,8-11,15,19-20H,3,6-7,12-14H2,1-2H3.
What are the key properties of N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide?
N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide has a molecular weight of 349.50 g/mol, XLogP of 2.82, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide is sourced from PubChem (CID 70839107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).