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

C10H19F3N2O2S — CID 83059279

IUPACN-(azetidin-3-yl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-2-5-15(9-7-14-8-9)18(16,17)6-3-4-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyWCTJGQOSSWZCQZ-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.34
Rot. Bonds7

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

N-(azetidin-3-yl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide (PubChem CID 83059279) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
PubChem CID83059279
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC NameN-(azetidin-3-yl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-2-5-15(9-7-14-8-9)18(16,17)6-3-4-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyWCTJGQOSSWZCQZ-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.34
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-propylbutane-1-sulfonamide?
The IUPAC name of N-(azetidin-3-yl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide (CID 83059279) is N-(azetidin-3-yl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide is CCCN(C1CNC1)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(azetidin-3-yl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
The InChIKey is WCTJGQOSSWZCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-2-5-15(9-7-14-8-9)18(16,17)6-3-4-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-(azetidin-3-yl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide?
N-(azetidin-3-yl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.34, 7 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-propylbutane-1-sulfonamide is sourced from PubChem (CID 83059279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).