N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C10H20F3N3O2S — CID 61252733

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H20F3N3O2S/c1-9(2)7-16(8-10(11,12)13)19(17,18)15-5-3-14-4-6-15/h9,14H,3-8H2,1-2H3
InChIKeyVRRHLYKGHNOQIM-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.66
Rot. Bonds5

About N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 61252733) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID61252733
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H20F3N3O2S/c1-9(2)7-16(8-10(11,12)13)19(17,18)15-5-3-14-4-6-15/h9,14H,3-8H2,1-2H3
InChIKeyVRRHLYKGHNOQIM-UHFFFAOYSA-N
XLogP0.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 61252733) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is CC(C)CN(CC(F)(F)F)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is VRRHLYKGHNOQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c1-9(2)7-16(8-10(11,12)13)19(17,18)15-5-3-14-4-6-15/h9,14H,3-8H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 303.35 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 61252733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).