N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide

C14H29N3O3S — CID 106076225

IUPACN-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCCCN1S(=O)(=O)NC1CCOC1C
InChIInChI=1S/C14H29N3O3S/c1-3-8-15-11-13-6-4-5-9-17(13)21(18,19)16-14-7-10-20-12(14)2/h12-16H,3-11H2,1-2H3
InChIKeyQUJLBCZRRDZGLN-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.85
Rot. Bonds7

About N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide

N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106076225) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
PubChem CID106076225
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCCCN1S(=O)(=O)NC1CCOC1C
InChIInChI=1S/C14H29N3O3S/c1-3-8-15-11-13-6-4-5-9-17(13)21(18,19)16-14-7-10-20-12(14)2/h12-16H,3-11H2,1-2H3
InChIKeyQUJLBCZRRDZGLN-UHFFFAOYSA-N
XLogP0.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-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

2-(aminomethyl)-N-(2-methyloxolan-3-yl)piperidine-1-sulfonamide
CID 114141914
N-(3-methylcyclopentyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 114551988
2-(propylaminomethyl)-N-(thian-3-yl)piperidine-1-sulfonamide
CID 106081477
N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 63877750
N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409161
N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106083879
N-(3,3-dimethylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106079132
N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 63880164
N-(4-methylsulfanylbutyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106078101
N-[[1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 83047909
2-(ethylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106091710
2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 106046357

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide (CID 106076225) is N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide is CCCNCC1CCCCN1S(=O)(=O)NC1CCOC1C.
What is the InChIKey of N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is QUJLBCZRRDZGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-3-8-15-11-13-6-4-5-9-17(13)21(18,19)16-14-7-10-20-12(14)2/h12-16H,3-11H2,1-2H3.
What are the key properties of N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide?
N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106076225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).