2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide

C11H25N3O2S — CID 114810868

IUPAC2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCCC1CCNC
InChIInChI=1S/C11H25N3O2S/c1-3-8-13-17(15,16)14-10-5-4-6-11(14)7-9-12-2/h11-13H,3-10H2,1-2H3
InChIKeyHIMIRHYEDWEOFO-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.69
Rot. Bonds7

About 2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide

2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide (PubChem CID 114810868) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide
PubChem CID114810868
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCCCC1CCNC
InChIInChI=1S/C11H25N3O2S/c1-3-8-13-17(15,16)14-10-5-4-6-11(14)7-9-12-2/h11-13H,3-10H2,1-2H3
InChIKeyHIMIRHYEDWEOFO-UHFFFAOYSA-N
XLogP0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
N-(4-methylsulfanylbutyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106078101
N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409161
2-(methylaminomethyl)-N-(2-pyrazol-1-ylethyl)piperidine-1-sulfonamide
CID 106054632
2-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094240
N-[2-(1-propylsulfonylpiperidin-2-yl)ethyl]methanesulfonamide
CID 64591583
N-(3-cyclopentylpropyl)-2-(hydroxymethyl)piperidine-1-sulfonamide
CID 106014558
2-cyano-N-propylpyrrolidine-1-sulfonamide
CID 114807904
N-methyl-2-[1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]ethanamine
CID 83059722
1-[3-(methylamino)propylsulfamoyl]piperidine-2-carboxylic acid
CID 61403826
N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094651
2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 114134652

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide?
The IUPAC name of 2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide (CID 114810868) is 2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide?
The canonical SMILES for 2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide is CCCNS(=O)(=O)N1CCCCC1CCNC.
What is the InChIKey of 2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide?
The InChIKey is HIMIRHYEDWEOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-8-13-17(15,16)14-10-5-4-6-11(14)7-9-12-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide?
2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide is sourced from PubChem (CID 114810868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).