N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide

C14H23N3O3S — CID 82749058

IUPACN-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)N(C)C2CCOC2)nc1
InChIInChI=1S/C14H23N3O3S/c1-3-7-15-9-12-4-5-14(16-10-12)21(18,19)17(2)13-6-8-20-11-13/h4-5,10,13,15H,3,6-9,11H2,1-2H3
InChIKeyOSTSHOGXQRCLRK-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.99
Rot. Bonds7

About N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide

N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide (PubChem CID 82749058) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide
PubChem CID82749058
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)N(C)C2CCOC2)nc1
InChIInChI=1S/C14H23N3O3S/c1-3-7-15-9-12-4-5-14(16-10-12)21(18,19)17(2)13-6-8-20-11-13/h4-5,10,13,15H,3,6-9,11H2,1-2H3
InChIKeyOSTSHOGXQRCLRK-UHFFFAOYSA-N
XLogP0.99
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-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

Related Compounds

N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)pyridine-2-sulfonamide
CID 82745069
4-(ethylaminomethyl)-N-methyl-N-(oxolan-3-yl)thiophene-2-sulfonamide
CID 82744724
1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82749172
N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
CID 82744052
N-methyl-N-(oxolan-3-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 82729653
5-(propylaminomethyl)-N-(thian-4-yl)pyridine-2-sulfonamide
CID 106084462
N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65329120
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide
CID 106017285
6-(ethylamino)-N-methyl-N-(oxolan-3-yl)pyridine-3-sulfonamide
CID 82744212
N'-methyl-N'-[methyl(oxolan-3-yl)sulfamoyl]-N-propylpropane-1,3-diamine
CID 82745275
2-ethyl-N-methyl-5-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 82748707
4-(hydroxymethyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82745836

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide?
The IUPAC name of N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide (CID 82749058) is N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide is CCCNCc1ccc(S(=O)(=O)N(C)C2CCOC2)nc1.
What is the InChIKey of N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide?
The InChIKey is OSTSHOGXQRCLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-7-15-9-12-4-5-14(16-10-12)21(18,19)17(2)13-6-8-20-11-13/h4-5,10,13,15H,3,6-9,11H2,1-2H3.
What are the key properties of N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide?
N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 82749058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).