2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride

C12H27ClN2O3S — CID 119993802

IUPAC2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)CCOCC.Cl
InChIInChI=1S/C12H26N2O3S.ClH/c1-3-9-14(12-5-7-13-8-6-12)18(15,16)11-10-17-4-2;/h12-13H,3-11H2,1-2H3;1H
InChIKeyGUBXDDQXJULGOL-UHFFFAOYSA-N
MW314.88 g/mol
LogP1.24
Rot. Bonds8

About 2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride

2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride (PubChem CID 119993802) has the molecular formula C12H27ClN2O3S and a molecular weight of 314.88 g/mol. Its IUPAC name is 2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride
PubChem CID119993802
Molecular FormulaC12H27ClN2O3S
Molecular Weight314.88 g/mol
Exact Mass314.14
IUPAC Name2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)CCOCC.Cl
InChIInChI=1S/C12H26N2O3S.ClH/c1-3-9-14(12-5-7-13-8-6-12)18(15,16)11-10-17-4-2;/h12-13H,3-11H2,1-2H3;1H
InChIKeyGUBXDDQXJULGOL-UHFFFAOYSA-N
XLogP1.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 51.24
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

2-ethoxy-N-ethyl-N-piperidin-4-ylethanesulfonamide
CID 63246667
2-[2-ethoxyethylsulfonyl(piperidin-4-yl)amino]acetamide
CID 63246713
N-propyl-N-pyrrolidin-3-ylpropane-1-sulfonamide;hydrochloride
CID 119976707
3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
CID 63855512
2-ethoxy-N-(piperidin-4-ylmethyl)-N-propylethanesulfonamide
CID 79717397
N-piperidin-4-yl-N-propylbut-3-ene-1-sulfonamide
CID 119993992
N-propyl-N-pyrrolidin-3-ylethanesulfonamide
CID 60805146
N-(2-chloroethyl)-N-cyclopentyl-2-ethoxyethanesulfonamide
CID 63396597
N-(3-aminopropyl)-N-cyclopropyl-2-ethoxyethanesulfonamide
CID 63246125
2-ethoxy-N-methyl-N-(2-piperidin-4-ylethyl)ethanesulfonamide
CID 55173527
N-cyclopropyl-2-ethoxy-N-(piperidin-3-ylmethyl)ethanesulfonamide
CID 106631255
1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride
CID 119993751

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride?
The IUPAC name of 2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride (CID 119993802) is 2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride.
What is the SMILES notation for 2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride?
The canonical SMILES for 2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)CCOCC.Cl.
What is the InChIKey of 2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride?
The InChIKey is GUBXDDQXJULGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S.ClH/c1-3-9-14(12-5-7-13-8-6-12)18(15,16)11-10-17-4-2;/h12-13H,3-11H2,1-2H3;1H.
What are the key properties of 2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride?
2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride is sourced from PubChem (CID 119993802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).