N,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide

C6H10F3NOS — CID 130427166

IUPACN,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide
SMILESCN(C)C(=O)CCSC(F)(F)F
InChIInChI=1S/C6H10F3NOS/c1-10(2)5(11)3-4-12-6(7,8)9/h3-4H2,1-2H3
InChIKeyLHAPKOFGMAKJOX-UHFFFAOYSA-N
MW201.21 g/mol
LogP1.72
Rot. Bonds3

About N,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide

N,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide (PubChem CID 130427166) has the molecular formula C6H10F3NOS and a molecular weight of 201.21 g/mol. Its IUPAC name is N,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide
PubChem CID130427166
Molecular FormulaC6H10F3NOS
Molecular Weight201.21 g/mol
Exact Mass201.04
IUPAC NameN,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide
SMILESCN(C)C(=O)CCSC(F)(F)F
InChIInChI=1S/C6H10F3NOS/c1-10(2)5(11)3-4-12-6(7,8)9/h3-4H2,1-2H3
InChIKeyLHAPKOFGMAKJOX-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 6-(trifluoromethylsulfanyl)hexanoate
CID 122376065
ethyl 4-oxo-7-(trifluoromethylsulfanyl)heptanoate
CID 116627027
1,2-bis(trifluoromethylsulfanyl)ethane
CID 154097976
N,N-dimethyl-3-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 62647345
3,3-difluoro-N,N-dimethylbutanamide
CID 130667654
4-[methyl-[2-(trifluoromethylsulfanyl)acetyl]amino]butanoic acid
CID 115596389
[2-(dimethylamino)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 174583979
N,N-dimethylbutanamide;hydrochloride
CID 87498306
2-[3-(dimethylamino)-3-oxopropyl]sulfanylbutanedioic acid
CID 87199417
3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide
CID 66229613
3-(dimethylamino)-N,N-dimethylpropanamide;hydrochloride
CID 146155865
(3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one
CID 143500605

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide?
The IUPAC name of N,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide (CID 130427166) is N,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide?
The canonical SMILES for N,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide is CN(C)C(=O)CCSC(F)(F)F.
What is the InChIKey of N,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide?
The InChIKey is LHAPKOFGMAKJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NOS/c1-10(2)5(11)3-4-12-6(7,8)9/h3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide?
N,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide has a molecular weight of 201.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(trifluoromethylsulfanyl)propanamide is sourced from PubChem (CID 130427166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).