(2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide

C9H17F3N2O4S — CID 94178902

IUPAC(2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCS(=O)(=O)NCCNC(=O)[C@H](C)OCC(F)(F)F
InChIInChI=1S/C9H17F3N2O4S/c1-3-19(16,17)14-5-4-13-8(15)7(2)18-6-9(10,11)12/h7,14H,3-6H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeySIASHKNHTPWIRS-ZETCQYMHSA-N
MW306.31 g/mol
LogP0.01
Rot. Bonds8

About (2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide

(2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 94178902) has the molecular formula C9H17F3N2O4S and a molecular weight of 306.31 g/mol. Its IUPAC name is (2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID94178902
Molecular FormulaC9H17F3N2O4S
Molecular Weight306.31 g/mol
Exact Mass306.09
IUPAC Name(2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCS(=O)(=O)NCCNC(=O)[C@H](C)OCC(F)(F)F
InChIInChI=1S/C9H17F3N2O4S/c1-3-19(16,17)14-5-4-13-8(15)7(2)18-6-9(10,11)12/h7,14H,3-6H2,1-2H3,(H,13,15)/t7-/m0/s1
InChIKeySIASHKNHTPWIRS-ZETCQYMHSA-N
XLogP0.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 94178902) is (2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide is CCS(=O)(=O)NCCNC(=O)[C@H](C)OCC(F)(F)F.
What is the InChIKey of (2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is SIASHKNHTPWIRS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17F3N2O4S/c1-3-19(16,17)14-5-4-13-8(15)7(2)18-6-9(10,11)12/h7,14H,3-6H2,1-2H3,(H,13,15)/t7-/m0/s1.
What are the key properties of (2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide?
(2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 306.31 g/mol, XLogP of 0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(ethylsulfonylamino)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 94178902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).