N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide

C15H25N3O2S — CID 106075384

IUPACN-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1cccc(S(=O)(=O)NN2CCCCC2)c1
InChIInChI=1S/C15H25N3O2S/c1-2-9-16-13-14-7-6-8-15(12-14)21(19,20)17-18-10-4-3-5-11-18/h6-8,12,16-17H,2-5,9-11,13H2,1H3
InChIKeyGXTGIFLCUJPULG-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.87
Rot. Bonds7

About N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide

N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide (PubChem CID 106075384) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide
PubChem CID106075384
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide
SMILESCCCNCc1cccc(S(=O)(=O)NN2CCCCC2)c1
InChIInChI=1S/C15H25N3O2S/c1-2-9-16-13-14-7-6-8-15(12-14)21(19,20)17-18-10-4-3-5-11-18/h6-8,12,16-17H,2-5,9-11,13H2,1H3
InChIKeyGXTGIFLCUJPULG-UHFFFAOYSA-N
XLogP1.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-3-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106032210
N-pentan-2-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106046653
3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082573
3-(propylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106070111
3-(propylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071732
3-hydroxy-N-piperidin-1-ylbenzenesulfonamide
CID 83019095
3-[(cyclohexylmethylamino)methyl]-N-(3,3-dimethylpiperidin-1-yl)benzenesulfonamide
CID 70065650
3-(propylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106082065
4-methyl-N-piperidin-1-yl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106075417
5-(ethylaminomethyl)-2-fluoro-N-piperidin-1-ylbenzenesulfonamide
CID 106075371
N-(1-methoxybutan-2-yl)-3-(propylaminomethyl)benzenesulfonamide
CID 106068380
N-[[3-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methyl]propan-1-amine
CID 103541321

Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide?
The IUPAC name of N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide (CID 106075384) is N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide is CCCNCc1cccc(S(=O)(=O)NN2CCCCC2)c1.
What is the InChIKey of N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide?
The InChIKey is GXTGIFLCUJPULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-9-16-13-14-7-6-8-15(12-14)21(19,20)17-18-10-4-3-5-11-18/h6-8,12,16-17H,2-5,9-11,13H2,1H3.
What are the key properties of N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide?
N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106075384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).