1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride

C17H24ClN3O3S — CID 119974771

IUPAC1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCC(C(C)N)CC3)cc2)co1.Cl
InChIInChI=1S/C17H23N3O3S.ClH/c1-12(18)14-7-9-20(10-8-14)24(21,22)16-5-3-15(4-6-16)17-11-23-13(2)19-17;/h3-6,11-12,14H,7-10,18H2,1-2H3;1H
InChIKeyRHQHZGAGUMZCJP-UHFFFAOYSA-N
MW385.92 g/mol
LogP2.82
Rot. Bonds4

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

1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride (PubChem CID 119974771) has the molecular formula C17H24ClN3O3S and a molecular weight of 385.92 g/mol. Its IUPAC name is 1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
PubChem CID119974771
Molecular FormulaC17H24ClN3O3S
Molecular Weight385.92 g/mol
Exact Mass385.12
IUPAC Name1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCc1nc(-c2ccc(S(=O)(=O)N3CCC(C(C)N)CC3)cc2)co1.Cl
InChIInChI=1S/C17H23N3O3S.ClH/c1-12(18)14-7-9-20(10-8-14)24(21,22)16-5-3-15(4-6-16)17-11-23-13(2)19-17;/h3-6,11-12,14H,7-10,18H2,1-2H3;1H
InChIKeyRHQHZGAGUMZCJP-UHFFFAOYSA-N
XLogP2.82
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-oxazole
CID 56791969
3-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]oxypropan-1-amine;hydrochloride
CID 119992578
2-methyl-4-[4-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]-1,3-oxazole
CID 122336263
ethyl 1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidine-3-carboxylate
CID 22583126
1-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974952
4-methyl-2-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122269025
4-[2-methyl-6-[4-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122340941
4-[4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]sulfonylphenyl]-2-methyl-1,3-oxazole
CID 121021163
1-[1-[4-(methylsulfonylmethyl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975061
ethyl 4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119974949
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975031
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylbenzamide
CID 63597099

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride (CID 119974771) is 1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride is Cc1nc(-c2ccc(S(=O)(=O)N3CCC(C(C)N)CC3)cc2)co1.Cl.
What is the InChIKey of 1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is RHQHZGAGUMZCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S.ClH/c1-12(18)14-7-9-20(10-8-14)24(21,22)16-5-3-15(4-6-16)17-11-23-13(2)19-17;/h3-6,11-12,14H,7-10,18H2,1-2H3;1H.
What are the key properties of 1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 385.92 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119974771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).