N-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

C13H19F2N3O3S — CID 128774183

IUPACN-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1(F)F)c1cnn2c1OCCC2
InChIInChI=1S/C13H19F2N3O3S/c14-13(15)5-2-1-4-10(13)8-17-22(19,20)11-9-16-18-6-3-7-21-12(11)18/h9-10,17H,1-8H2
InChIKeyVBGYRTYPJRYIMU-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.77
Rot. Bonds4

About N-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide

N-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (PubChem CID 128774183) has the molecular formula C13H19F2N3O3S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
PubChem CID128774183
Molecular FormulaC13H19F2N3O3S
Molecular Weight335.38 g/mol
Exact Mass335.11
IUPAC NameN-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1(F)F)c1cnn2c1OCCC2
InChIInChI=1S/C13H19F2N3O3S/c14-13(15)5-2-1-4-10(13)8-17-22(19,20)11-9-16-18-6-3-7-21-12(11)18/h9-10,17H,1-8H2
InChIKeyVBGYRTYPJRYIMU-UHFFFAOYSA-N
XLogP1.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 135241139
2,2,2-trifluoro-N-[(3-sulfamoyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-6-yl)methyl]acetamide
CID 146225675
3-(Aminosulfonimidoyl)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 168750985
3-(aminosulfonimidoyl)-6-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 175813974
N-(4,4-difluorocyclohexyl)-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 128773769
N-ethyl-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 154798392
3-[[(1R,5R)-1-(difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 167991859
6-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 135240733
6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide;hydrochloride
CID 135240994
6-(aminomethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 135240995
6-[(dimethylamino)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 135241067
6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
CID 135241126

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The IUPAC name of N-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide (CID 128774183) is N-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide.
What is the SMILES notation for N-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The canonical SMILES for N-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is O=S(=O)(NCC1CCCCC1(F)F)c1cnn2c1OCCC2.
What is the InChIKey of N-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
The InChIKey is VBGYRTYPJRYIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O3S/c14-13(15)5-2-1-4-10(13)8-17-22(19,20)11-9-16-18-6-3-7-21-12(11)18/h9-10,17H,1-8H2.
What are the key properties of N-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide?
N-[(2,2-difluorocyclohexyl)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 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorocyclohexyl)methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide is sourced from PubChem (CID 128774183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).