1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride

C16H22ClN3O3S — CID 120999580

IUPAC1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)c1ccccc1-c1ccno1.Cl
InChIInChI=1S/C16H21N3O3S.ClH/c1-12(17)14-7-4-5-11-19(14)23(20,21)16-8-3-2-6-13(16)15-9-10-18-22-15;/h2-3,6,8-10,12,14H,4-5,7,11,17H2,1H3;1H
InChIKeyGBAHQVLYJFNNDH-UHFFFAOYSA-N
MW371.89 g/mol
LogP2.65
Rot. Bonds4

About 1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride

1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride (PubChem CID 120999580) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is 1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
PubChem CID120999580
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC Name1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)c1ccccc1-c1ccno1.Cl
InChIInChI=1S/C16H21N3O3S.ClH/c1-12(17)14-7-4-5-11-19(14)23(20,21)16-8-3-2-6-13(16)15-9-10-18-22-15;/h2-3,6,8-10,12,14H,4-5,7,11,17H2,1H3;1H
InChIKeyGBAHQVLYJFNNDH-UHFFFAOYSA-N
XLogP2.65
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[(2S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124691045
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965238
N-methyl-1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 127805909
1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride
CID 119965289
1-[1-(3-bromo-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965556
[2-[2-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]-phenylmethanone;hydrochloride
CID 120999660
(1R)-1-[(2R)-1-quinolin-5-ylsulfonylpiperidin-2-yl]ethanamine
CID 125118643
1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120998770
1-[1-(2,3,4-trifluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63255176
1-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965432
1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965286
(1S)-1-[(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine
CID 124570360

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride (CID 120999580) is 1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride is CC(N)C1CCCCN1S(=O)(=O)c1ccccc1-c1ccno1.Cl.
What is the InChIKey of 1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is GBAHQVLYJFNNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S.ClH/c1-12(17)14-7-4-5-11-19(14)23(20,21)16-8-3-2-6-13(16)15-9-10-18-22-15;/h2-3,6,8-10,12,14H,4-5,7,11,17H2,1H3;1H.
What are the key properties of 1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 371.89 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120999580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).