4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

C10H21F3N4O2S — CID 114804021

IUPAC4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCC(C)(CN)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H21F3N4O2S/c1-9(2,7-14)16-3-5-17(6-4-16)20(18,19)15-8-10(11,12)13/h15H,3-8,14H2,1-2H3
InChIKeyJCUDFCJHZOKTCO-UHFFFAOYSA-N
MW318.37 g/mol
LogP-0.26
Rot. Bonds5

About 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide

4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (PubChem CID 114804021) has the molecular formula C10H21F3N4O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
PubChem CID114804021
Molecular FormulaC10H21F3N4O2S
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
SMILESCC(C)(CN)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H21F3N4O2S/c1-9(2,7-14)16-3-5-17(6-4-16)20(18,19)15-8-10(11,12)13/h15H,3-8,14H2,1-2H3
InChIKeyJCUDFCJHZOKTCO-UHFFFAOYSA-N
XLogP-0.26
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide (CID 114804021) is 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is CC(C)(CN)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
The InChIKey is JCUDFCJHZOKTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N4O2S/c1-9(2,7-14)16-3-5-17(6-4-16)20(18,19)15-8-10(11,12)13/h15H,3-8,14H2,1-2H3.
What are the key properties of 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide?
4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide has a molecular weight of 318.37 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 114804021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).