N-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide

C10H16F3N3O3S — CID 126825854

IUPACN-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCC1CC(C(F)(F)F)=NO1)N1CCCCC1
InChIInChI=1S/C10H16F3N3O3S/c11-10(12,13)9-6-8(19-15-9)7-14-20(17,18)16-4-2-1-3-5-16/h8,14H,1-7H2
InChIKeyFOHQKNRYBCLBSH-UHFFFAOYSA-N
MW315.32 g/mol
LogP1.01
Rot. Bonds4

About N-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide

N-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide (PubChem CID 126825854) has the molecular formula C10H16F3N3O3S and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide
PubChem CID126825854
Molecular FormulaC10H16F3N3O3S
Molecular Weight315.32 g/mol
Exact Mass315.09
IUPAC NameN-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCC1CC(C(F)(F)F)=NO1)N1CCCCC1
InChIInChI=1S/C10H16F3N3O3S/c11-10(12,13)9-6-8(19-15-9)7-14-20(17,18)16-4-2-1-3-5-16/h8,14H,1-7H2
InChIKeyFOHQKNRYBCLBSH-UHFFFAOYSA-N
XLogP1.01
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide?
The IUPAC name of N-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide (CID 126825854) is N-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide is O=S(=O)(NCC1CC(C(F)(F)F)=NO1)N1CCCCC1.
What is the InChIKey of N-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide?
The InChIKey is FOHQKNRYBCLBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3S/c11-10(12,13)9-6-8(19-15-9)7-14-20(17,18)16-4-2-1-3-5-16/h8,14H,1-7H2.
What are the key properties of N-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide?
N-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide has a molecular weight of 315.32 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 126825854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).