4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide

C7H14F3N3O2S — CID 71977823

IUPAC4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide
SMILESCC(N1CCN(S(N)(=O)=O)CC1)C(F)(F)F
InChIInChI=1S/C7H14F3N3O2S/c1-6(7(8,9)10)12-2-4-13(5-3-12)16(11,14)15/h6H,2-5H2,1H3,(H2,11,14,15)
InChIKeyMIVOMRBNJYIODR-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.24
Rot. Bonds2

About 4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide

4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide (PubChem CID 71977823) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide
PubChem CID71977823
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC Name4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide
SMILESCC(N1CCN(S(N)(=O)=O)CC1)C(F)(F)F
InChIInChI=1S/C7H14F3N3O2S/c1-6(7(8,9)10)12-2-4-13(5-3-12)16(11,14)15/h6H,2-5H2,1H3,(H2,11,14,15)
InChIKeyMIVOMRBNJYIODR-UHFFFAOYSA-N
XLogP-0.24
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide?
The IUPAC name of 4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide (CID 71977823) is 4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide is CC(N1CCN(S(N)(=O)=O)CC1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide?
The InChIKey is MIVOMRBNJYIODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c1-6(7(8,9)10)12-2-4-13(5-3-12)16(11,14)15/h6H,2-5H2,1H3,(H2,11,14,15).
What are the key properties of 4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide?
4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide has a molecular weight of 261.27 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluoropropan-2-yl)piperazine-1-sulfonamide is sourced from PubChem (CID 71977823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).