1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride

C17H29ClN2O4S — CID 119984624

IUPAC1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
SMILESCCOCCOc1ccc(S(=O)(=O)N2CCCC(C(C)N)C2)cc1.Cl
InChIInChI=1S/C17H28N2O4S.ClH/c1-3-22-11-12-23-16-6-8-17(9-7-16)24(20,21)19-10-4-5-15(13-19)14(2)18;/h6-9,14-15H,3-5,10-13,18H2,1-2H3;1H
InChIKeyXHDLXAVDENFDAI-UHFFFAOYSA-N
MW392.95 g/mol
LogP2.27
Rot. Bonds8

About 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride

1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride (PubChem CID 119984624) has the molecular formula C17H29ClN2O4S and a molecular weight of 392.95 g/mol. Its IUPAC name is 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
PubChem CID119984624
Molecular FormulaC17H29ClN2O4S
Molecular Weight392.95 g/mol
Exact Mass392.15
IUPAC Name1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
SMILESCCOCCOc1ccc(S(=O)(=O)N2CCCC(C(C)N)C2)cc1.Cl
InChIInChI=1S/C17H28N2O4S.ClH/c1-3-22-11-12-23-16-6-8-17(9-7-16)24(20,21)19-10-4-5-15(13-19)14(2)18;/h6-9,14-15H,3-5,10-13,18H2,1-2H3;1H
InChIKeyXHDLXAVDENFDAI-UHFFFAOYSA-N
XLogP2.27
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.95
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984263
(3R)-1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962827
(1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124684747
[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972213
ethyl 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119984527
1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965481
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984215
1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-2-yl]ethanamine
CID 119965482
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
1-[1-[4-(methylsulfonylmethyl)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984637
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980269
1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 119959783

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride (CID 119984624) is 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride is CCOCCOc1ccc(S(=O)(=O)N2CCCC(C(C)N)C2)cc1.Cl.
What is the InChIKey of 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is XHDLXAVDENFDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S.ClH/c1-3-22-11-12-23-16-6-8-17(9-7-16)24(20,21)19-10-4-5-15(13-19)14(2)18;/h6-9,14-15H,3-5,10-13,18H2,1-2H3;1H.
What are the key properties of 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 392.95 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119984624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).