N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine

C9H18F3N3O2S — CID 176837586

IUPACN,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine
SMILESCN(C)CCS(=O)(=O)N1CCN[C@@H](C(F)(F)F)C1
InChIInChI=1S/C9H18F3N3O2S/c1-14(2)5-6-18(16,17)15-4-3-13-8(7-15)9(10,11)12/h8,13H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyUJURILMCCABZLZ-MRVPVSSYSA-N
MW289.32 g/mol
LogP-0.29
Rot. Bonds4

About N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine

N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine (PubChem CID 176837586) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine
PubChem CID176837586
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC NameN,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine
SMILESCN(C)CCS(=O)(=O)N1CCN[C@@H](C(F)(F)F)C1
InChIInChI=1S/C9H18F3N3O2S/c1-14(2)5-6-18(16,17)15-4-3-13-8(7-15)9(10,11)12/h8,13H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyUJURILMCCABZLZ-MRVPVSSYSA-N
XLogP-0.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine?
The IUPAC name of N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine (CID 176837586) is N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine?
The canonical SMILES for N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine is CN(C)CCS(=O)(=O)N1CCN[C@@H](C(F)(F)F)C1.
What is the InChIKey of N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine?
The InChIKey is UJURILMCCABZLZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c1-14(2)5-6-18(16,17)15-4-3-13-8(7-15)9(10,11)12/h8,13H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine?
N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine has a molecular weight of 289.32 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3R)-3-(trifluoromethyl)piperazin-1-yl]sulfonylethanamine is sourced from PubChem (CID 176837586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).