1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride

C14H18ClN3O3S — CID 120998770

IUPAC1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)c2ccccc2-c2ccno2)C1
InChIInChI=1S/C14H17N3O3S.ClH/c15-11-4-3-9-17(10-11)21(18,19)14-6-2-1-5-12(14)13-7-8-16-20-13;/h1-2,5-8,11H,3-4,9-10,15H2;1H
InChIKeyBXVGXVFGDTZQFB-UHFFFAOYSA-N
MW343.84 g/mol
LogP1.88
Rot. Bonds3

About 1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride

1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride (PubChem CID 120998770) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is 1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
PubChem CID120998770
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC Name1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(S(=O)(=O)c2ccccc2-c2ccno2)C1
InChIInChI=1S/C14H17N3O3S.ClH/c15-11-4-3-9-17(10-11)21(18,19)14-6-2-1-5-12(14)13-7-8-16-20-13;/h1-2,5-8,11H,3-4,9-10,15H2;1H
InChIKeyBXVGXVFGDTZQFB-UHFFFAOYSA-N
XLogP1.88
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride (CID 120998770) is 1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride is Cl.NC1CCCN(S(=O)(=O)c2ccccc2-c2ccno2)C1.
What is the InChIKey of 1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
The InChIKey is BXVGXVFGDTZQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S.ClH/c15-11-4-3-9-17(10-11)21(18,19)14-6-2-1-5-12(14)13-7-8-16-20-13;/h1-2,5-8,11H,3-4,9-10,15H2;1H.
What are the key properties of 1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride?
1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride has a molecular weight of 343.84 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2-oxazol-5-yl)phenyl]sulfonylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 120998770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).