3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide

C6H10F3NOS — CID 89308146

IUPAC3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCSCCC(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3NOS/c1-12-3-2-5(11)10-4-6(7,8)9/h2-4H2,1H3,(H,10,11)
InChIKeySHVSMCGWBCTLDQ-UHFFFAOYSA-N
MW201.21 g/mol
LogP1.42
Rot. Bonds4

About 3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide

3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 89308146) has the molecular formula C6H10F3NOS and a molecular weight of 201.21 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID89308146
Molecular FormulaC6H10F3NOS
Molecular Weight201.21 g/mol
Exact Mass201.04
IUPAC Name3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCSCCC(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3NOS/c1-12-3-2-5(11)10-4-6(7,8)9/h2-4H2,1H3,(H,10,11)
InChIKeySHVSMCGWBCTLDQ-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

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide (CID 89308146) is 3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide is CSCCC(=O)NCC(F)(F)F.
What is the InChIKey of 3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is SHVSMCGWBCTLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NOS/c1-12-3-2-5(11)10-4-6(7,8)9/h2-4H2,1H3,(H,10,11).
What are the key properties of 3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide 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 3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 89308146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).