N-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

C13H19F2N3O3S — CID 128773769

IUPACN-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCN(C1CCC(F)(F)CC1)S(=O)(=O)c1cnn2c1OCCC2
InChIInChI=1S/C13H19F2N3O3S/c1-17(10-3-5-13(14,15)6-4-10)22(19,20)11-9-16-18-7-2-8-21-12(11)18/h9-10H,2-8H2,1H3
InChIKeyAQNYDFVSVAHWMV-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.86
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

N-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (PubChem CID 128773769) has the molecular formula C13H19F2N3O3S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
PubChem CID128773769
Molecular FormulaC13H19F2N3O3S
Molecular Weight335.38 g/mol
Exact Mass335.11
IUPAC NameN-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESCN(C1CCC(F)(F)CC1)S(=O)(=O)c1cnn2c1OCCC2
InChIInChI=1S/C13H19F2N3O3S/c1-17(10-3-5-13(14,15)6-4-10)22(19,20)11-9-16-18-7-2-8-21-12(11)18/h9-10H,2-8H2,1H3
InChIKeyAQNYDFVSVAHWMV-UHFFFAOYSA-N
XLogP1.86
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (CID 128773769) is N-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is CN(C1CCC(F)(F)CC1)S(=O)(=O)c1cnn2c1OCCC2.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The InChIKey is AQNYDFVSVAHWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O3S/c1-17(10-3-5-13(14,15)6-4-10)22(19,20)11-9-16-18-7-2-8-21-12(11)18/h9-10H,2-8H2,1H3.
What are the key properties of N-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
N-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide has a molecular weight of 335.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is sourced from PubChem (CID 128773769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).