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

C14H19F2N3O3S — CID 167991859

IUPAC3-[[(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
SMILESCC1(C)COc2c(S(=O)(=O)N3C[C@@H]4C[C@]4(C(F)F)C3)cnn2C1
InChIInChI=1S/C14H19F2N3O3S/c1-13(2)6-19-11(22-8-13)10(4-17-19)23(20,21)18-5-9-3-14(9,7-18)12(15)16/h4,9,12H,3,5-8H2,1-2H3/t9-,14-/m0/s1
InChIKeyYHCPHSLAPFHDSC-XPTSAGLGSA-N
MW347.39 g/mol
LogP1.58
Rot. Bonds3

About 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

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 (PubChem CID 167991859) has the molecular formula C14H19F2N3O3S and a molecular weight of 347.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[(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
PubChem CID167991859
Molecular FormulaC14H19F2N3O3S
Molecular Weight347.39 g/mol
Exact Mass347.11
IUPAC Name3-[[(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
SMILESCC1(C)COc2c(S(=O)(=O)N3C[C@@H]4C[C@]4(C(F)F)C3)cnn2C1
InChIInChI=1S/C14H19F2N3O3S/c1-13(2)6-19-11(22-8-13)10(4-17-19)23(20,21)18-5-9-3-14(9,7-18)12(15)16/h4,9,12H,3,5-8H2,1-2H3/t9-,14-/m0/s1
InChIKeyYHCPHSLAPFHDSC-XPTSAGLGSA-N
XLogP1.58
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)COc2c(S(=O)(=O)N3C[C@@H]4C[C@]4(C(F)F)C3)cnn2C1.
What is the InChIKey of 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?
The InChIKey is YHCPHSLAPFHDSC-XPTSAGLGSA-N. The full InChI is InChI=1S/C14H19F2N3O3S/c1-13(2)6-19-11(22-8-13)10(4-17-19)23(20,21)18-5-9-3-14(9,7-18)12(15)16/h4,9,12H,3,5-8H2,1-2H3/t9-,14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 347.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167991859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).