N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

C8H13F2N3O3S — CID 114384148

IUPACN-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NCC(F)(F)CN)no1
InChIInChI=1S/C8H13F2N3O3S/c1-6-2-7(13-16-6)3-17(14,15)12-5-8(9,10)4-11/h2,12H,3-5,11H2,1H3
InChIKeyBZRMEZSETXQFSL-UHFFFAOYSA-N
MW269.27 g/mol
LogP-0.00
Rot. Bonds6

About N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (PubChem CID 114384148) has the molecular formula C8H13F2N3O3S and a molecular weight of 269.27 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
PubChem CID114384148
Molecular FormulaC8H13F2N3O3S
Molecular Weight269.27 g/mol
Exact Mass269.06
IUPAC NameN-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
SMILESCc1cc(CS(=O)(=O)NCC(F)(F)CN)no1
InChIInChI=1S/C8H13F2N3O3S/c1-6-2-7(13-16-6)3-17(14,15)12-5-8(9,10)4-11/h2,12H,3-5,11H2,1H3
InChIKeyBZRMEZSETXQFSL-UHFFFAOYSA-N
XLogP-0.00
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43258971
N-(2-bromoethyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43133689
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetic acid
CID 28787877
N-(2-hydroxypropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43502409
N-(1-aminobutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 65193475
methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]acetate
CID 43624220
1-(5-methyl-1,2-oxazol-3-yl)-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55101025
N-(6-hydroxyhexyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 103918339
1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanesulfonamide
CID 54896768
N-[(2R)-1-hydroxypropan-2-yl]-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 64722552
N-(1-hydroxy-2-phenylpropan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 115642587
N-(5-amino-2-pyridinyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 43144678

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide (CID 114384148) is N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is Cc1cc(CS(=O)(=O)NCC(F)(F)CN)no1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
The InChIKey is BZRMEZSETXQFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O3S/c1-6-2-7(13-16-6)3-17(14,15)12-5-8(9,10)4-11/h2,12H,3-5,11H2,1H3.
What are the key properties of N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide?
N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide has a molecular weight of 269.27 g/mol, XLogP of -0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 114384148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).