N-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

C10H17F3N2O2S — CID 83058074

IUPACN-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c1-3-15(8-9(2)7-14)18(16,17)6-4-5-10(11,12)13/h9H,3-6,8H2,1-2H3
InChIKeyLUOJCCQIERGGOX-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.14
Rot. Bonds7

About N-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide

N-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83058074) has the molecular formula C10H17F3N2O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83058074
Molecular FormulaC10H17F3N2O2S
Molecular Weight286.32 g/mol
Exact Mass286.10
IUPAC NameN-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O2S/c1-3-15(8-9(2)7-14)18(16,17)6-4-5-10(11,12)13/h9H,3-6,8H2,1-2H3
InChIKeyLUOJCCQIERGGOX-UHFFFAOYSA-N
XLogP2.14
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide (CID 83058074) is N-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is CCN(CC(C)C#N)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is LUOJCCQIERGGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2S/c1-3-15(8-9(2)7-14)18(16,17)6-4-5-10(11,12)13/h9H,3-6,8H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 286.32 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83058074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).