N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide

C10H17F3N2O2S — CID 154779652

IUPACN-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NC1CC(NCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2S/c1-2-3-4-18(16,17)15-9-5-8(6-9)14-7-10(11,12)13/h2,8-9,14-15H,1,3-7H2
InChIKeyAZGUIJVFCMBRCU-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.16
Rot. Bonds7

About N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide

N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide (PubChem CID 154779652) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide
PubChem CID154779652
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC NameN-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide
SMILESC=CCCS(=O)(=O)NC1CC(NCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2S/c1-2-3-4-18(16,17)15-9-5-8(6-9)14-7-10(11,12)13/h2,8-9,14-15H,1,3-7H2
InChIKeyAZGUIJVFCMBRCU-UHFFFAOYSA-N
XLogP1.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide?
The IUPAC name of N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide (CID 154779652) is N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide?
The canonical SMILES for N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide is C=CCCS(=O)(=O)NC1CC(NCC(F)(F)F)C1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide?
The InChIKey is AZGUIJVFCMBRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c1-2-3-4-18(16,17)15-9-5-8(6-9)14-7-10(11,12)13/h2,8-9,14-15H,1,3-7H2.
What are the key properties of N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide?
N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide has a molecular weight of 286.32 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethylamino)cyclobutyl]but-3-ene-1-sulfonamide is sourced from PubChem (CID 154779652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).