N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide

C8H14F3NOS — CID 90338985

IUPACN-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide
SMILESCCNC(=O)C(CSCC)C(F)(F)F
InChIInChI=1S/C8H14F3NOS/c1-3-12-7(13)6(5-14-4-2)8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyMSELHVDINCPAAB-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.05
Rot. Bonds5

About N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide

N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide (PubChem CID 90338985) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide
PubChem CID90338985
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC NameN-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide
SMILESCCNC(=O)C(CSCC)C(F)(F)F
InChIInChI=1S/C8H14F3NOS/c1-3-12-7(13)6(5-14-4-2)8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyMSELHVDINCPAAB-UHFFFAOYSA-N
XLogP2.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-ethyl-3-ethylsulfanylpropanamide
CID 13059396
2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide
CID 148946234
2-tert-butyl-N-ethyl-4,4-dimethylpentanamide
CID 88561290
ethane;N-ethyl-2-methylbutanamide
CID 145471862
sodium 2-acetamido-3-ethylsulfanylpropanoic acid
CID 170452671
2-(trifluoromethyl)butanoyl chloride
CID 87603675
N-ethyl-2-(2-ethylsulfanylethyl)but-3-ynamide
CID 126514110
2-[(4-ethylsulfanylbutan-2-ylamino)methyl]-3,3,3-trifluoropropanoic acid
CID 103268682
(2R)-2-amino-N-butyl-3-ethylsulfanylpropanamide
CID 13059403
2-amino-N,N'-diethylpropanediamide
CID 88901749
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
N-tert-butyl-2-methylpropanamide;bis(N-ethyl-2-methylpropanamide)
CID 160609422

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide (CID 90338985) is N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide is CCNC(=O)C(CSCC)C(F)(F)F.
What is the InChIKey of N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide?
The InChIKey is MSELHVDINCPAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NOS/c1-3-12-7(13)6(5-14-4-2)8(9,10)11/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide?
N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide has a molecular weight of 229.27 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylsulfanylmethyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 90338985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).