4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride

C14H22ClN3O3S — CID 119984385

IUPAC4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride
SMILESCC(N)C1CCCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10(15)12-3-2-8-17(9-12)21(19,20)13-6-4-11(5-7-13)14(16)18;/h4-7,10,12H,2-3,8-9,15H2,1H3,(H2,16,18);1H
InChIKeyDHSKMKJIEMZYBT-UHFFFAOYSA-N
MW347.87 g/mol
LogP0.96
Rot. Bonds4

About 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride

4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride (PubChem CID 119984385) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride
PubChem CID119984385
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC Name4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride
SMILESCC(N)C1CCCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-10(15)12-3-2-8-17(9-12)21(19,20)13-6-4-11(5-7-13)14(16)18;/h4-7,10,12H,2-3,8-9,15H2,1H3,(H2,16,18);1H
InChIKeyDHSKMKJIEMZYBT-UHFFFAOYSA-N
XLogP0.96
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119984527
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984215
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
CID 63597099
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 55257807
1-[1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984263
(1R)-1-[(3R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124684747
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119984592
1-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 86813045
1-[1-[4-(methylsulfonylmethyl)phenyl]sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984637
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119984390
dimethyl 5-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzene-1,3-dicarboxylate;hydrochloride
CID 119984455
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119984380

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
The IUPAC name of 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride (CID 119984385) is 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride.
What is the SMILES notation for 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
The canonical SMILES for 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride is CC(N)C1CCCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1.Cl.
What is the InChIKey of 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
The InChIKey is DHSKMKJIEMZYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-10(15)12-3-2-8-17(9-12)21(19,20)13-6-4-11(5-7-13)14(16)18;/h4-7,10,12H,2-3,8-9,15H2,1H3,(H2,16,18);1H.
What are the key properties of 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride?
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119984385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).