N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide

C7H12F3NOS — CID 130417384

IUPACN-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide
SMILESCC(C)NC(=O)CCSC(F)(F)F
InChIInChI=1S/C7H12F3NOS/c1-5(2)11-6(12)3-4-13-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyAUPWVNFLLIVCFT-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.15
Rot. Bonds4

About N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide

N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide (PubChem CID 130417384) has the molecular formula C7H12F3NOS and a molecular weight of 215.24 g/mol. Its IUPAC name is N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide
PubChem CID130417384
Molecular FormulaC7H12F3NOS
Molecular Weight215.24 g/mol
Exact Mass215.06
IUPAC NameN-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide
SMILESCC(C)NC(=O)CCSC(F)(F)F
InChIInChI=1S/C7H12F3NOS/c1-5(2)11-6(12)3-4-13-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyAUPWVNFLLIVCFT-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide?
The IUPAC name of N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide (CID 130417384) is N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide.
What is the SMILES notation for N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide?
The canonical SMILES for N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide is CC(C)NC(=O)CCSC(F)(F)F.
What is the InChIKey of N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide?
The InChIKey is AUPWVNFLLIVCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NOS/c1-5(2)11-6(12)3-4-13-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide?
N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide has a molecular weight of 215.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide is sourced from PubChem (CID 130417384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).