N-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide

C8H15F3N2O2S — CID 83059105

IUPACN-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCN(C1CNC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c1-13(7-5-12-6-7)16(14,15)4-2-3-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyGQQDJNMJNWQBIG-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.56
Rot. Bonds5

About N-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide

N-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide (PubChem CID 83059105) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
PubChem CID83059105
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC NameN-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide
SMILESCN(C1CNC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2S/c1-13(7-5-12-6-7)16(14,15)4-2-3-8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyGQQDJNMJNWQBIG-UHFFFAOYSA-N
XLogP0.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The IUPAC name of N-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide (CID 83059105) is N-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide is CN(C1CNC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
The InChIKey is GQQDJNMJNWQBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c1-13(7-5-12-6-7)16(14,15)4-2-3-8(9,10)11/h7,12H,2-6H2,1H3.
What are the key properties of N-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide?
N-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide has a molecular weight of 260.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4,4,4-trifluoro-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 83059105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).