N-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine

C13H28N2O2S — CID 114597684

IUPACN-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine
SMILESCCCNCCS(=O)(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C13H28N2O2S/c1-5-6-14-7-8-18(16,17)15-10-11(2)9-12(3)13(15)4/h11-14H,5-10H2,1-4H3
InChIKeyWJFZZIBWNQBJQG-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.68
Rot. Bonds6

About N-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine

N-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine (PubChem CID 114597684) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine
PubChem CID114597684
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine
SMILESCCCNCCS(=O)(=O)N1CC(C)CC(C)C1C
InChIInChI=1S/C13H28N2O2S/c1-5-6-14-7-8-18(16,17)15-10-11(2)9-12(3)13(15)4/h11-14H,5-10H2,1-4H3
InChIKeyWJFZZIBWNQBJQG-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(bromomethylsulfonyl)-2,3,5-trimethylpiperidine
CID 114594667
2,3,5-trimethyl-1-(2-piperidin-4-ylethylsulfonyl)piperidine
CID 114593427
N-[2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)sulfonyl]ethyl]propan-1-amine
CID 79931278
N-propyl-4-(2,3,5-trimethylpiperidin-1-yl)pentan-1-amine
CID 114597107
2,3,5-trimethyl-1-propan-2-ylsulfonylpiperidine
CID 114597504
N-[2-(3-propan-2-ylpyrrolidin-1-yl)sulfonylethyl]propan-1-amine
CID 113419411
N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-1-amine
CID 114414040
N-[[3-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 114597734
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
2-(2,3,5-trimethylpiperidin-1-yl)sulfonylpropanenitrile
CID 114593299
N-[2-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylethyl]propan-1-amine
CID 102746509
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine?
The IUPAC name of N-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine (CID 114597684) is N-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine is CCCNCCS(=O)(=O)N1CC(C)CC(C)C1C.
What is the InChIKey of N-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine?
The InChIKey is WJFZZIBWNQBJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-5-6-14-7-8-18(16,17)15-10-11(2)9-12(3)13(15)4/h11-14H,5-10H2,1-4H3.
What are the key properties of N-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine?
N-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine has a molecular weight of 276.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,5-trimethylpiperidin-1-yl)sulfonylethyl]propan-1-amine is sourced from PubChem (CID 114597684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).