N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide

C6H10F3NOS — CID 88871209

IUPACN-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide
SMILESCCSCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NOS/c1-2-12-4-3-10-5(11)6(7,8)9/h2-4H2,1H3,(H,10,11)
InChIKeyPBIBANLZOBBXPO-UHFFFAOYSA-N
MW201.21 g/mol
LogP1.42
Rot. Bonds4

About N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide

N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide (PubChem CID 88871209) has the molecular formula C6H10F3NOS and a molecular weight of 201.21 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide
PubChem CID88871209
Molecular FormulaC6H10F3NOS
Molecular Weight201.21 g/mol
Exact Mass201.04
IUPAC NameN-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide
SMILESCCSCCNC(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NOS/c1-2-12-4-3-10-5(11)6(7,8)9/h2-4H2,1H3,(H,10,11)
InChIKeyPBIBANLZOBBXPO-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfanylethyl)acetamide
CID 2245987
Ethanethioic acid, S-(2-(acetylamino)ethyl) ester
CID 14997
2,2,2-Trifluoro-N-(2-{[2-(2,2,2-trifluoroacetamido)ethyl]sulfanyl}ethyl)acetamide
CID 2055987
2,2,2-trifluoro-N-(2-mercaptoethyl)acetamide
CID 15003205
6-(Trifluoromethyl)thiomorpholin-3-one
CID 130836299
2-Trifluoromethylthiazolidin-4-one
CID 129747045
2,2,2-trifluoro-N-[2-(2-trimethylsilylethylsulfanyl)ethyl]acetamide
CID 15590157
2,2,2-trifluoro-N-(2-sulfanylideneethyl)acetamide
CID 19079826
2,2,2-trifluoro-N-[2-(2-methylpropylsulfanyl)ethyl]acetamide
CID 21026487
2,2,2-trifluoro-N-(2-methanesulfonylethyl)acetamide
CID 22609710
N-(2-methylthioethyl)trifluoroacetamide
CID 22609837
N-[2-[(2R)-2-aminopropyl]sulfanylethyl]-2,2,2-trifluoroacetamide
CID 54007626

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide (CID 88871209) is N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide is CCSCCNC(=O)C(F)(F)F.
What is the InChIKey of N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide?
The InChIKey is PBIBANLZOBBXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NOS/c1-2-12-4-3-10-5(11)6(7,8)9/h2-4H2,1H3,(H,10,11).
What are the key properties of N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide?
N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide has a molecular weight of 201.21 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 88871209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).