N-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C11H17N3O4S — CID 71789501

IUPACN-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1cnn2c1OCCC2
InChIInChI=1S/C11H17N3O4S/c1-2-19(16,17)7-4-12-10(15)9-8-13-14-5-3-6-18-11(9)14/h8H,2-7H2,1H3,(H,12,15)
InChIKeyZJUNSWFEEFUKNM-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.17
Rot. Bonds5

About N-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 71789501) has the molecular formula C11H17N3O4S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID71789501
Molecular FormulaC11H17N3O4S
Molecular Weight287.34 g/mol
Exact Mass287.09
IUPAC NameN-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1cnn2c1OCCC2
InChIInChI=1S/C11H17N3O4S/c1-2-19(16,17)7-4-12-10(15)9-8-13-14-5-3-6-18-11(9)14/h8H,2-7H2,1H3,(H,12,15)
InChIKeyZJUNSWFEEFUKNM-UHFFFAOYSA-N
XLogP-0.17
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 71789501) is N-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is CCS(=O)(=O)CCNC(=O)c1cnn2c1OCCC2.
What is the InChIKey of N-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is ZJUNSWFEEFUKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4S/c1-2-19(16,17)7-4-12-10(15)9-8-13-14-5-3-6-18-11(9)14/h8H,2-7H2,1H3,(H,12,15).
What are the key properties of N-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 287.34 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 71789501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).