N-(azetidin-3-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

C9H17F3N2O2S — CID 83059106

IUPACN-(azetidin-3-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-2-14(8-6-13-7-8)17(15,16)5-3-4-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyLYDMSSKFBOGGQI-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.95
Rot. Bonds6

About N-(azetidin-3-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

N-(azetidin-3-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059106) has the molecular formula C9H17F3N2O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059106
Molecular FormulaC9H17F3N2O2S
Molecular Weight274.31 g/mol
Exact Mass274.10
IUPAC NameN-(azetidin-3-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(C1CNC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2S/c1-2-14(8-6-13-7-8)17(15,16)5-3-4-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyLYDMSSKFBOGGQI-UHFFFAOYSA-N
XLogP0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.95
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)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (CID 83059106) is N-(azetidin-3-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is CCN(C1CNC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is LYDMSSKFBOGGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2S/c1-2-14(8-6-13-7-8)17(15,16)5-3-4-9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
N-(azetidin-3-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 274.31 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).