N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide

C9H14F3NOS — CID 94810119

IUPACN-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide
SMILESC[C@@H](C1CC1)N(C)C(=O)CSC(F)(F)F
InChIInChI=1S/C9H14F3NOS/c1-6(7-3-4-7)13(2)8(14)5-15-9(10,11)12/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyVVIWXMAHNPFCNU-LURJTMIESA-N
MW241.28 g/mol
LogP2.50
Rot. Bonds4

About N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide

N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 94810119) has the molecular formula C9H14F3NOS and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide
PubChem CID94810119
Molecular FormulaC9H14F3NOS
Molecular Weight241.28 g/mol
Exact Mass241.07
IUPAC NameN-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide
SMILESC[C@@H](C1CC1)N(C)C(=O)CSC(F)(F)F
InChIInChI=1S/C9H14F3NOS/c1-6(7-3-4-7)13(2)8(14)5-15-9(10,11)12/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyVVIWXMAHNPFCNU-LURJTMIESA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide (CID 94810119) is N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide is C[C@@H](C1CC1)N(C)C(=O)CSC(F)(F)F.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is VVIWXMAHNPFCNU-LURJTMIESA-N. The full InChI is InChI=1S/C9H14F3NOS/c1-6(7-3-4-7)13(2)8(14)5-15-9(10,11)12/h6-7H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide?
N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 241.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-N-methyl-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 94810119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).