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

C8H14F3NOS — CID 130417386

IUPACN-methyl-N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide
SMILESCC(C)N(C)C(=O)CCSC(F)(F)F
InChIInChI=1S/C8H14F3NOS/c1-6(2)12(3)7(13)4-5-14-8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyHTENFDMPAPYHRQ-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.50
Rot. Bonds4

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

N-methyl-N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide (PubChem CID 130417386) has the molecular formula C8H14F3NOS and a molecular weight of 229.27 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide
PubChem CID130417386
Molecular FormulaC8H14F3NOS
Molecular Weight229.27 g/mol
Exact Mass229.07
IUPAC NameN-methyl-N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide
SMILESCC(C)N(C)C(=O)CCSC(F)(F)F
InChIInChI=1S/C8H14F3NOS/c1-6(2)12(3)7(13)4-5-14-8(9,10)11/h6H,4-5H2,1-3H3
InChIKeyHTENFDMPAPYHRQ-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
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-methyl-N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide?
The IUPAC name of N-methyl-N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide (CID 130417386) is N-methyl-N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide.
What is the SMILES notation for N-methyl-N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide?
The canonical SMILES for N-methyl-N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide is CC(C)N(C)C(=O)CCSC(F)(F)F.
What is the InChIKey of N-methyl-N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide?
The InChIKey is HTENFDMPAPYHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NOS/c1-6(2)12(3)7(13)4-5-14-8(9,10)11/h6H,4-5H2,1-3H3.
What are the key properties of N-methyl-N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide?
N-methyl-N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide has a molecular weight of 229.27 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-methyl-N-propan-2-yl-3-(trifluoromethylsulfanyl)propanamide is sourced from PubChem (CID 130417386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).