N-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide

C9H16F3NOS — CID 78873508

IUPACN-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CSCC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H16F3NOS/c1-7(2)4-15-5-8(14)13(3)6-9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyLPJNVLUKANYLTE-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.40
Rot. Bonds5

About N-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide

N-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78873508) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78873508
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC NameN-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CSCC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H16F3NOS/c1-7(2)4-15-5-8(14)13(3)6-9(10,11)12/h7H,4-6H2,1-3H3
InChIKeyLPJNVLUKANYLTE-UHFFFAOYSA-N
XLogP2.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 78873508) is N-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CSCC(=O)N(C)CC(F)(F)F.
What is the InChIKey of N-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LPJNVLUKANYLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c1-7(2)4-15-5-8(14)13(3)6-9(10,11)12/h7H,4-6H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 243.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropylsulfanyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78873508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).