1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine

C13H28N2O3S — CID 55256858

IUPAC1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine
SMILESCCNC(C)C1CCCCN1S(=O)(=O)CCOCC
InChIInChI=1S/C13H28N2O3S/c1-4-14-12(3)13-8-6-7-9-15(13)19(16,17)11-10-18-5-2/h12-14H,4-11H2,1-3H3
InChIKeyHDXWPPRPLNFORJ-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.21
Rot. Bonds8

About 1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine

1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine (PubChem CID 55256858) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine
PubChem CID55256858
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine
SMILESCCNC(C)C1CCCCN1S(=O)(=O)CCOCC
InChIInChI=1S/C13H28N2O3S/c1-4-14-12(3)13-8-6-7-9-15(13)19(16,17)11-10-18-5-2/h12-14H,4-11H2,1-3H3
InChIKeyHDXWPPRPLNFORJ-UHFFFAOYSA-N
XLogP1.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-butylsulfonylpiperidin-2-yl)-N-ethylethanamine
CID 63854552
2-[1-(ethylamino)ethyl]piperidine-1-sulfonamide
CID 114958523
(2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid
CID 66263402
1-(1-benzylsulfonylpiperidin-2-yl)-N-ethylethanamine
CID 63854553
1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpiperidine
CID 63256330
N-ethyl-1-[1-(2-propan-2-ylsulfonylethyl)piperidin-2-yl]ethanamine
CID 106721500
(2S,3S)-1-(2-ethoxyethylsulfonyl)-2-methylpiperidine-3-carboxylic acid
CID 122105232
N-ethyl-1-[1-(2-methoxyethyl)piperidin-2-yl]ethanamine
CID 63854863
2-[2-[1-(ethylamino)ethyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63853649
1-(2-ethoxyethylsulfonyl)-2-pyrrolidin-2-ylpyrrolidine
CID 63246941
N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine
CID 79599985
1-(2-propan-2-yloxyethylsulfonyl)azepane-2-carboxylic acid
CID 79594113

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine (CID 55256858) is 1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine is CCNC(C)C1CCCCN1S(=O)(=O)CCOCC.
What is the InChIKey of 1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine?
The InChIKey is HDXWPPRPLNFORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-14-12(3)13-8-6-7-9-15(13)19(16,17)11-10-18-5-2/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine?
1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine has a molecular weight of 292.44 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyethylsulfonyl)piperidin-2-yl]-N-ethylethanamine is sourced from PubChem (CID 55256858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).