N-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide

C10H16F6N2O2S — CID 56791953

IUPACN-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN1CCC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C10H16F6N2O2S/c1-2-21(19,20)17-4-6-18-5-3-8(7-18,9(11,12)13)10(14,15)16/h17H,2-7H2,1H3
InChIKeyORFHVLRFYHJPLD-UHFFFAOYSA-N
MW342.31 g/mol
LogP1.74
Rot. Bonds5

About N-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide

N-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide (PubChem CID 56791953) has the molecular formula C10H16F6N2O2S and a molecular weight of 342.31 g/mol. Its IUPAC name is N-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
PubChem CID56791953
Molecular FormulaC10H16F6N2O2S
Molecular Weight342.31 g/mol
Exact Mass342.08
IUPAC NameN-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCN1CCC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C10H16F6N2O2S/c1-2-21(19,20)17-4-6-18-5-3-8(7-18,9(11,12)13)10(14,15)16/h17H,2-7H2,1H3
InChIKeyORFHVLRFYHJPLD-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide (CID 56791953) is N-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCN1CCC(C(F)(F)F)(C(F)(F)F)C1.
What is the InChIKey of N-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide?
The InChIKey is ORFHVLRFYHJPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6N2O2S/c1-2-21(19,20)17-4-6-18-5-3-8(7-18,9(11,12)13)10(14,15)16/h17H,2-7H2,1H3.
What are the key properties of N-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide?
N-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide has a molecular weight of 342.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 56791953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).