2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide

C9H18F3N3O2S — CID 168813128

IUPAC2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
SMILESCC1(C)CN(CCC(F)(F)F)CCN1S(N)(=O)=O
InChIInChI=1S/C9H18F3N3O2S/c1-8(2)7-14(4-3-9(10,11)12)5-6-15(8)18(13,16)17/h3-7H2,1-2H3,(H2,13,16,17)
InChIKeyACRPLLFIDJGXRF-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.54
Rot. Bonds3

About 2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide

2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide (PubChem CID 168813128) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
PubChem CID168813128
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC Name2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide
SMILESCC1(C)CN(CCC(F)(F)F)CCN1S(N)(=O)=O
InChIInChI=1S/C9H18F3N3O2S/c1-8(2)7-14(4-3-9(10,11)12)5-6-15(8)18(13,16)17/h3-7H2,1-2H3,(H2,13,16,17)
InChIKeyACRPLLFIDJGXRF-UHFFFAOYSA-N
XLogP0.54
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide?
The IUPAC name of 2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide (CID 168813128) is 2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide?
The canonical SMILES for 2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide is CC1(C)CN(CCC(F)(F)F)CCN1S(N)(=O)=O.
What is the InChIKey of 2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide?
The InChIKey is ACRPLLFIDJGXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c1-8(2)7-14(4-3-9(10,11)12)5-6-15(8)18(13,16)17/h3-7H2,1-2H3,(H2,13,16,17).
What are the key properties of 2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide?
2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(3,3,3-trifluoropropyl)piperazine-1-sulfonamide is sourced from PubChem (CID 168813128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).