1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine

C13H28N2O2S — CID 63854552

IUPAC1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine
SMILESCCCCS(=O)(=O)N1CCCCC1C(C)NCC
InChIInChI=1S/C13H28N2O2S/c1-4-6-11-18(16,17)15-10-8-7-9-13(15)12(3)14-5-2/h12-14H,4-11H2,1-3H3
InChIKeyZWAIQENOYYAZJT-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.97
Rot. Bonds7

About 1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine

1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine (PubChem CID 63854552) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine
PubChem CID63854552
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine
SMILESCCCCS(=O)(=O)N1CCCCC1C(C)NCC
InChIInChI=1S/C13H28N2O2S/c1-4-6-11-18(16,17)15-10-8-7-9-13(15)12(3)14-5-2/h12-14H,4-11H2,1-3H3
InChIKeyZWAIQENOYYAZJT-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine 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

1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine
CID 55256858
2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide
CID 114958523
1-(1-butylsulfonylpiperidin-2-yl)propan-1-ol
CID 111439996
1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine
CID 63854553
N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine
CID 106721500
2-(1-butylsulfonylpiperidin-2-yl)ethanamine
CID 63767348
(2R)-2-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 119370214
(2S)-1-butylsulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
CID 110285824
2-(1-butylsulfonylpiperidin-2-yl)cyclopentan-1-ol
CID 79545152
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63853649
N-methyl-2-[1-(methylamino)ethyl]piperidine-1-sulfonamide
CID 114803152
cis-(1R,3S)-3-[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677771

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine (CID 63854552) is 1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine is CCCCS(=O)(=O)N1CCCCC1C(C)NCC.
What is the InChIKey of 1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine?
The InChIKey is ZWAIQENOYYAZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-6-11-18(16,17)15-10-8-7-9-13(15)12(3)14-5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine?
1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine has a molecular weight of 276.45 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine is sourced from PubChem (CID 63854552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).