N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

C10H14N4O3S — CID 120874415

IUPACN-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCc1noc2ncc(S(=O)(=O)NCCN)cc12
InChIInChI=1S/C10H14N4O3S/c1-2-9-8-5-7(6-12-10(8)17-14-9)18(15,16)13-4-3-11/h5-6,13H,2-4,11H2,1H3
InChIKeyGYHFNBAPILNRCD-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.02
Rot. Bonds5

About N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 120874415) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID120874415
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC NameN-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCc1noc2ncc(S(=O)(=O)NCCN)cc12
InChIInChI=1S/C10H14N4O3S/c1-2-9-8-5-7(6-12-10(8)17-14-9)18(15,16)13-4-3-11/h5-6,13H,2-4,11H2,1H3
InChIKeyGYHFNBAPILNRCD-UHFFFAOYSA-N
XLogP0.02
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (CID 120874415) is N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is CCc1noc2ncc(S(=O)(=O)NCCN)cc12.
What is the InChIKey of N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is GYHFNBAPILNRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c1-2-9-8-5-7(6-12-10(8)17-14-9)18(15,16)13-4-3-11/h5-6,13H,2-4,11H2,1H3.
What are the key properties of N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 270.31 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 120874415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).