4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide

C10H16F3N5O3S — CID 131943987

IUPAC4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)NCCc2noc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H16F3N5O3S/c1-17-4-6-18(7-5-17)22(19,20)14-3-2-8-15-9(21-16-8)10(11,12)13/h14H,2-7H2,1H3
InChIKeyGIPQGGKQIDSRFX-UHFFFAOYSA-N
MW343.33 g/mol
LogP-0.29
Rot. Bonds5

About 4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide

4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide (PubChem CID 131943987) has the molecular formula C10H16F3N5O3S and a molecular weight of 343.33 g/mol. Its IUPAC name is 4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide
PubChem CID131943987
Molecular FormulaC10H16F3N5O3S
Molecular Weight343.33 g/mol
Exact Mass343.09
IUPAC Name4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide
SMILESCN1CCN(S(=O)(=O)NCCc2noc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H16F3N5O3S/c1-17-4-6-18(7-5-17)22(19,20)14-3-2-8-15-9(21-16-8)10(11,12)13/h14H,2-7H2,1H3
InChIKeyGIPQGGKQIDSRFX-UHFFFAOYSA-N
XLogP-0.29
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methylaminomethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106423659
2-methylsulfanyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 77080312
(3S)-1-ethyl-3-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidine-3-carboxamide
CID 126439584
2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 162110207
methyl 5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pentanoate
CID 166977468
(1S,3R,4R)-3-amino-4-methoxy-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 155939238
3-(hydroxymethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106423465
N-[(1-methylpyrrolidin-3-yl)methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 71230828
(1R)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide
CID 126430017
(1S)-2,2-dimethyl-1-phenyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]cyclopropane-1-carboxamide
CID 126430016
N-[1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]butyl]pyrrolidine-1-sulfonamide
CID 156666634
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 110294366

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide?
The IUPAC name of 4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide (CID 131943987) is 4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide is CN1CCN(S(=O)(=O)NCCc2noc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide?
The InChIKey is GIPQGGKQIDSRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O3S/c1-17-4-6-18(7-5-17)22(19,20)14-3-2-8-15-9(21-16-8)10(11,12)13/h14H,2-7H2,1H3.
What are the key properties of 4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide?
4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide has a molecular weight of 343.33 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethyl]piperazine-1-sulfonamide is sourced from PubChem (CID 131943987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).