3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide

C13H18N4O3S — CID 75533812

IUPAC3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide
SMILESCc1noc2ncc(NS(=O)(=O)N3CCCC(C)C3)cc12
InChIInChI=1S/C13H18N4O3S/c1-9-4-3-5-17(8-9)21(18,19)16-11-6-12-10(2)15-20-13(12)14-7-11/h6-7,9,16H,3-5,8H2,1-2H3
InChIKeyBAANRPMXSNPDSD-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.92
Rot. Bonds3

About 3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide

3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide (PubChem CID 75533812) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide
PubChem CID75533812
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide
SMILESCc1noc2ncc(NS(=O)(=O)N3CCCC(C)C3)cc12
InChIInChI=1S/C13H18N4O3S/c1-9-4-3-5-17(8-9)21(18,19)16-11-6-12-10(2)15-20-13(12)14-7-11/h6-7,9,16H,3-5,8H2,1-2H3
InChIKeyBAANRPMXSNPDSD-UHFFFAOYSA-N
XLogP1.92
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide?
The IUPAC name of 3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide (CID 75533812) is 3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide?
The canonical SMILES for 3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide is Cc1noc2ncc(NS(=O)(=O)N3CCCC(C)C3)cc12.
What is the InChIKey of 3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide?
The InChIKey is BAANRPMXSNPDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-9-4-3-5-17(8-9)21(18,19)16-11-6-12-10(2)15-20-13(12)14-7-11/h6-7,9,16H,3-5,8H2,1-2H3.
What are the key properties of 3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide?
3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 75533812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).