4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide

C10H19F3N2O2S — CID 104972444

IUPAC4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC[C@H]1CCCN1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)5-2-8-18(16,17)15-7-4-9-3-1-6-14-9/h9,14-15H,1-8H2/t9-/m1/s1
InChIKeyITTLYZDAUHCSKW-SECBINFHSA-N
MW288.34 g/mol
LogP1.39
Rot. Bonds7

About 4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide

4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide (PubChem CID 104972444) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide
PubChem CID104972444
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC Name4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC[C@H]1CCCN1
InChIInChI=1S/C10H19F3N2O2S/c11-10(12,13)5-2-8-18(16,17)15-7-4-9-3-1-6-14-9/h9,14-15H,1-8H2/t9-/m1/s1
InChIKeyITTLYZDAUHCSKW-SECBINFHSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide (CID 104972444) is 4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCC[C@H]1CCCN1.
What is the InChIKey of 4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide?
The InChIKey is ITTLYZDAUHCSKW-SECBINFHSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c11-10(12,13)5-2-8-18(16,17)15-7-4-9-3-1-6-14-9/h9,14-15H,1-8H2/t9-/m1/s1.
What are the key properties of 4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide?
4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butane-1-sulfonamide is sourced from PubChem (CID 104972444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).