N,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide

C13H20N4O5S — CID 11951527

IUPACN,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2onc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C13H20N4O5S/c1-15(2)23(19,20)17-4-3-11-10(9-17)12(14-22-11)13(18)16-5-7-21-8-6-16/h3-9H2,1-2H3
InChIKeySGYSWHWRARLCNG-UHFFFAOYSA-N
MW344.39 g/mol
LogP-0.69
Rot. Bonds3

About N,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide

N,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide (PubChem CID 11951527) has the molecular formula C13H20N4O5S and a molecular weight of 344.39 g/mol. Its IUPAC name is N,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide
PubChem CID11951527
Molecular FormulaC13H20N4O5S
Molecular Weight344.39 g/mol
Exact Mass344.12
IUPAC NameN,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2onc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C13H20N4O5S/c1-15(2)23(19,20)17-4-3-11-10(9-17)12(14-22-11)13(18)16-5-7-21-8-6-16/h3-9H2,1-2H3
InChIKeySGYSWHWRARLCNG-UHFFFAOYSA-N
XLogP-0.69
TPSA96.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide?
The IUPAC name of N,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide (CID 11951527) is N,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide is CN(C)S(=O)(=O)N1CCc2onc(C(=O)N3CCOCC3)c2C1.
What is the InChIKey of N,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide?
The InChIKey is SGYSWHWRARLCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O5S/c1-15(2)23(19,20)17-4-3-11-10(9-17)12(14-22-11)13(18)16-5-7-21-8-6-16/h3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide?
N,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide has a molecular weight of 344.39 g/mol, XLogP of -0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-sulfonamide is sourced from PubChem (CID 11951527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).