N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C11H22F3N3O2S — CID 61253719

IUPACN-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H22F3N3O2S/c1-3-10(4-2)17(9-11(12,13)14)20(18,19)16-7-5-15-6-8-16/h10,15H,3-9H2,1-2H3
InChIKeyDHISYQJEHNDTOY-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.19
Rot. Bonds6

About N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 61253719) has the molecular formula C11H22F3N3O2S and a molecular weight of 317.38 g/mol. Its IUPAC name is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID61253719
Molecular FormulaC11H22F3N3O2S
Molecular Weight317.38 g/mol
Exact Mass317.14
IUPAC NameN-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H22F3N3O2S/c1-3-10(4-2)17(9-11(12,13)14)20(18,19)16-7-5-15-6-8-16/h10,15H,3-9H2,1-2H3
InChIKeyDHISYQJEHNDTOY-UHFFFAOYSA-N
XLogP1.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperazine
CID 58861604
3,3-difluoro-N-[2-(propylamino)ethyl]piperidine-1-sulfonamide
CID 117855268
2-(2,2,2-Trifluoroethyl)piperazine-1-sulfonamide
CID 130344791
1-Methylsulfonyl-2-(trifluoromethyl)piperazine
CID 130440436
4-butan-2-yl-N-(fluoromethyl)piperazine-1-sulfonamide
CID 130440604
1-(Methylsulfonyl)-3-(trifluoromethyl)piperazine
CID 137519225
3-(Trifluoromethyl)piperazine-1-sulfonamide
CID 137519451
2-(Trifluoromethyl)piperazine-1-sulfonamide
CID 137519460
N,N-dimethyl-2-(trifluoromethyl)piperazine-1-sulfonamide
CID 140898063
4-[Sulfamoyl(3,3,3-trifluoropropyl)amino]piperidine
CID 167049379
2-[(3R)-5,5-difluoropiperidin-3-yl]-6-methyl-1,2,6-thiadiazinane 1,1-dioxide
CID 171524184
N,N-dimethyl-3-(trifluoromethyl)piperazine-1-sulfonamide
CID 175025436

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 61253719) is N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is CCC(CC)N(CC(F)(F)F)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is DHISYQJEHNDTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O2S/c1-3-10(4-2)17(9-11(12,13)14)20(18,19)16-7-5-15-6-8-16/h10,15H,3-9H2,1-2H3.
What are the key properties of N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 317.38 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61253719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).