N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide

C10H14F3N3O3S — CID 126832319

IUPACN-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCc1cc(C(F)(F)F)on1)N1CCCCC1
InChIInChI=1S/C10H14F3N3O3S/c11-10(12,13)9-6-8(15-19-9)7-14-20(17,18)16-4-2-1-3-5-16/h6,14H,1-5,7H2
InChIKeyKBNNSYLDXXKUSS-UHFFFAOYSA-N
MW313.30 g/mol
LogP1.51
Rot. Bonds4

About N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide

N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide (PubChem CID 126832319) has the molecular formula C10H14F3N3O3S and a molecular weight of 313.30 g/mol. Its IUPAC name is N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide
PubChem CID126832319
Molecular FormulaC10H14F3N3O3S
Molecular Weight313.30 g/mol
Exact Mass313.07
IUPAC NameN-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCc1cc(C(F)(F)F)on1)N1CCCCC1
InChIInChI=1S/C10H14F3N3O3S/c11-10(12,13)9-6-8(15-19-9)7-14-20(17,18)16-4-2-1-3-5-16/h6,14H,1-5,7H2
InChIKeyKBNNSYLDXXKUSS-UHFFFAOYSA-N
XLogP1.51
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1-sulfonamide
CID 39667071
N-benzylpiperidine-1-sulfonamide
CID 2989594
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyrrolidine-1-sulfonamide
CID 122353302
N-[(2,5-dimethylfuran-3-yl)methyl]azepane-1-sulfonamide
CID 86952214
3-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-5-(trifluoromethyl)-1,2-oxazole
CID 50840250
N-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide
CID 126825854
N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-sulfonamide
CID 122560921
N-[(4-bromophenyl)methyl]azepane-1-sulfonamide
CID 55223918
N-[(4-aminophenyl)methyl]azepane-1-sulfonamide
CID 43604589
N-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide
CID 167856499
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-sulfonamide
CID 128953261
N-[(3-bromothiophen-2-yl)methyl]azepane-1-sulfonamide
CID 78983748

Frequently Asked Questions

What is the IUPAC name of N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide?
The IUPAC name of N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide (CID 126832319) is N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide is O=S(=O)(NCc1cc(C(F)(F)F)on1)N1CCCCC1.
What is the InChIKey of N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide?
The InChIKey is KBNNSYLDXXKUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O3S/c11-10(12,13)9-6-8(15-19-9)7-14-20(17,18)16-4-2-1-3-5-16/h6,14H,1-5,7H2.
What are the key properties of N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide?
N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide has a molecular weight of 313.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(trifluoromethyl)-1,2-oxazol-3-yl]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 126832319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).