1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride

C14H21ClN2O3S — CID 119959947

IUPAC1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride
SMILESCCC(=O)c1cccc(S(=O)(=O)N2CCCC(N)C2)c1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-2-14(17)11-5-3-7-13(9-11)20(18,19)16-8-4-6-12(15)10-16;/h3,5,7,9,12H,2,4,6,8,10,15H2,1H3;1H
InChIKeyHTOYKZLUFINOMR-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.81
Rot. Bonds4

About 1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride

1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride (PubChem CID 119959947) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride
PubChem CID119959947
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride
SMILESCCC(=O)c1cccc(S(=O)(=O)N2CCCC(N)C2)c1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-2-14(17)11-5-3-7-13(9-11)20(18,19)16-8-4-6-12(15)10-16;/h3,5,7,9,12H,2,4,6,8,10,15H2,1H3;1H
InChIKeyHTOYKZLUFINOMR-UHFFFAOYSA-N
XLogP1.81
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]propan-1-one
CID 61253737
1-[3-(3-aminopyrrolidin-1-yl)sulfonylphenyl]ethanone
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1-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-one
CID 115965497
3-[(3R)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
CID 119962387
3-[(3S)-3-aminopyrrolidin-1-yl]sulfonylbenzamide
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1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one
CID 60873455
1-[3-(1,4-diazepan-1-ylsulfonyl)phenyl]propan-1-one
CID 119963642
1-[3-[(3S)-3-aminopiperidin-1-yl]phenyl]propan-1-one
CID 122412871
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
1-(4-ethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959888
1-[3-[2-(trifluoromethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-one
CID 136554850
(2S,3S)-2-methyl-1-(3-propanoylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105236

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride?
The IUPAC name of 1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride (CID 119959947) is 1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride is CCC(=O)c1cccc(S(=O)(=O)N2CCCC(N)C2)c1.Cl.
What is the InChIKey of 1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride?
The InChIKey is HTOYKZLUFINOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S.ClH/c1-2-14(17)11-5-3-7-13(9-11)20(18,19)16-8-4-6-12(15)10-16;/h3,5,7,9,12H,2,4,6,8,10,15H2,1H3;1H.
What are the key properties of 1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride?
1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminopiperidin-1-yl)sulfonylphenyl]propan-1-one;hydrochloride is sourced from PubChem (CID 119959947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).