2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride

C9H21ClN2O3S — CID 119960526

IUPAC2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride
SMILESCCOCCS(=O)(=O)NC1CCNCC1.Cl
InChIInChI=1S/C9H20N2O3S.ClH/c1-2-14-7-8-15(12,13)11-9-3-5-10-6-4-9;/h9-11H,2-8H2,1H3;1H
InChIKeyWKCAITWNWJZIRN-UHFFFAOYSA-N
MW272.80 g/mol
LogP0.12
Rot. Bonds6

About 2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride

2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride (PubChem CID 119960526) has the molecular formula C9H21ClN2O3S and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride
PubChem CID119960526
Molecular FormulaC9H21ClN2O3S
Molecular Weight272.80 g/mol
Exact Mass272.10
IUPAC Name2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride
SMILESCCOCCS(=O)(=O)NC1CCNCC1.Cl
InChIInChI=1S/C9H20N2O3S.ClH/c1-2-14-7-8-15(12,13)11-9-3-5-10-6-4-9;/h9-11H,2-8H2,1H3;1H
InChIKeyWKCAITWNWJZIRN-UHFFFAOYSA-N
XLogP0.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 50.12
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

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2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide
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CID 79886103
N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 50988223
2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride
CID 154911253
ethane;molecular hydrogen;N-piperidin-4-ylethanesulfonamide
CID 144690216
2-ethoxy-N-[6-(trifluoromethyl)piperidin-3-yl]ethanesulfonamide
CID 82817082
2-ethoxy-N-(2-methylpiperidin-3-yl)ethanesulfonamide
CID 79043367
2-methoxy-N-piperidin-4-ylpropane-1-sulfonamide;hydrochloride
CID 120998878
2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide
CID 63246934
2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride
CID 119993802
2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide
CID 63246667

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride?
The IUPAC name of 2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride (CID 119960526) is 2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride.
What is the SMILES notation for 2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride?
The canonical SMILES for 2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride is CCOCCS(=O)(=O)NC1CCNCC1.Cl.
What is the InChIKey of 2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride?
The InChIKey is WKCAITWNWJZIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S.ClH/c1-2-14-7-8-15(12,13)11-9-3-5-10-6-4-9;/h9-11H,2-8H2,1H3;1H.
What are the key properties of 2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride?
2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride has a molecular weight of 272.80 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-piperidin-4-ylethanesulfonamide;hydrochloride is sourced from PubChem (CID 119960526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).