1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine

C15H22N4O3S — CID 120877024

IUPAC1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
SMILESCCc1noc2ncc(S(=O)(=O)N3CCC(N)C(C)(C)C3)cc12
InChIInChI=1S/C15H22N4O3S/c1-4-12-11-7-10(8-17-14(11)22-18-12)23(20,21)19-6-5-13(16)15(2,3)9-19/h7-8,13H,4-6,9,16H2,1-3H3
InChIKeyJWGCRABZPQMGKY-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.53
Rot. Bonds3

About 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine

1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine (PubChem CID 120877024) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
PubChem CID120877024
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
SMILESCCc1noc2ncc(S(=O)(=O)N3CCC(N)C(C)(C)C3)cc12
InChIInChI=1S/C15H22N4O3S/c1-4-12-11-7-10(8-17-14(11)22-18-12)23(20,21)19-6-5-13(16)15(2,3)9-19/h7-8,13H,4-6,9,16H2,1-3H3
InChIKeyJWGCRABZPQMGKY-UHFFFAOYSA-N
XLogP1.53
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine (CID 120877024) is 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine is CCc1noc2ncc(S(=O)(=O)N3CCC(N)C(C)(C)C3)cc12.
What is the InChIKey of 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine?
The InChIKey is JWGCRABZPQMGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-4-12-11-7-10(8-17-14(11)22-18-12)23(20,21)19-6-5-13(16)15(2,3)9-19/h7-8,13H,4-6,9,16H2,1-3H3.
What are the key properties of 1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine?
1-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine has a molecular weight of 338.43 g/mol, XLogP of 1.53, 3 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]-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120877024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).