[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride

C14H21ClN4O3S — CID 120874752

IUPAC[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCCc1noc2ncc(S(=O)(=O)N3CCCCC3CN)cc12.Cl
InChIInChI=1S/C14H20N4O3S.ClH/c1-2-13-12-7-11(9-16-14(12)21-17-13)22(19,20)18-6-4-3-5-10(18)8-15;/h7,9-10H,2-6,8,15H2,1H3;1H
InChIKeyZCJFBOXKANSHFI-UHFFFAOYSA-N
MW360.87 g/mol
LogP1.71
Rot. Bonds4

About [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride

[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride (PubChem CID 120874752) has the molecular formula C14H21ClN4O3S and a molecular weight of 360.87 g/mol. Its IUPAC name is [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
PubChem CID120874752
Molecular FormulaC14H21ClN4O3S
Molecular Weight360.87 g/mol
Exact Mass360.10
IUPAC Name[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCCc1noc2ncc(S(=O)(=O)N3CCCCC3CN)cc12.Cl
InChIInChI=1S/C14H20N4O3S.ClH/c1-2-13-12-7-11(9-16-14(12)21-17-13)22(19,20)18-6-4-3-5-10(18)8-15;/h7,9-10H,2-6,8,15H2,1H3;1H
InChIKeyZCJFBOXKANSHFI-UHFFFAOYSA-N
XLogP1.71
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride with MolForge

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Related Compounds

[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-4-methoxypiperidin-2-yl]methanamine
CID 120876154
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
CID 120877024
(1S)-1-[(2S)-1-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]ethanol
CID 98853522
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590
3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl fluoride
CID 165460191
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711693
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969291
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969248
[5-(2-ethylpiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 61329304
[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride
CID 119969518

Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride (CID 120874752) is [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride is CCc1noc2ncc(S(=O)(=O)N3CCCCC3CN)cc12.Cl.
What is the InChIKey of [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is ZCJFBOXKANSHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S.ClH/c1-2-13-12-7-11(9-16-14(12)21-17-13)22(19,20)18-6-4-3-5-10(18)8-15;/h7,9-10H,2-6,8,15H2,1H3;1H.
What are the key properties of [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride?
[1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 360.87 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120874752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).