N-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide

C8H8F6N2O4S — CID 18801599

IUPACN-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(NC1CS(=O)(=O)CC1NC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6N2O4S/c9-7(10,11)5(17)15-3-1-21(19,20)2-4(3)16-6(18)8(12,13)14/h3-4H,1-2H2,(H,15,17)(H,16,18)
InChIKeyJKIWLPZWDNXTNI-UHFFFAOYSA-N
MW342.22 g/mol
LogP-0.49
Rot. Bonds2

About N-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide

N-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 18801599) has the molecular formula C8H8F6N2O4S and a molecular weight of 342.22 g/mol. Its IUPAC name is N-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide
PubChem CID18801599
Molecular FormulaC8H8F6N2O4S
Molecular Weight342.22 g/mol
Exact Mass342.01
IUPAC NameN-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(NC1CS(=O)(=O)CC1NC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6N2O4S/c9-7(10,11)5(17)15-3-1-21(19,20)2-4(3)16-6(18)8(12,13)14/h3-4H,1-2H2,(H,15,17)(H,16,18)
InChIKeyJKIWLPZWDNXTNI-UHFFFAOYSA-N
XLogP-0.49
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide with MolForge

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Related Compounds

2-amino-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide hydrochloride
CID 42913699
N-(1,1-dioxothiolan-3-yl)-2-(1,1,2,2,3,3,3-heptafluoropropylthio)acetamide
CID 3547026
N-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoroacetamide
CID 43859554
N-(4,4-difluoropyrrolidin-3-yl)-3-(methylsulfonyl)propanamide hydrochloride
CID 118073717
N-(4,4-difluoropyrrolidin-3-yl)-3-methylsulfonylpropanamide
CID 118073718
N-(4,4-difluoropyrrolidin-3-yl)-3-ethylsulfonylpropanamide
CID 118102575
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide
CID 7177562
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)acetamide
CID 11888610
2-Amino-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide
CID 22690355
N-(1,1-dioxothiolan-3-yl)-3,3,3-trifluoropropanamide
CID 51076767
2-[(1,1-dioxothian-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961742
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60647008

Frequently Asked Questions

What is the IUPAC name of N-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide (CID 18801599) is N-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide is O=C(NC1CS(=O)(=O)CC1NC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is JKIWLPZWDNXTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2O4S/c9-7(10,11)5(17)15-3-1-21(19,20)2-4(3)16-6(18)8(12,13)14/h3-4H,1-2H2,(H,15,17)(H,16,18).
What are the key properties of N-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide?
N-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 342.22 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-dioxo-4-[(2,2,2-trifluoroacetyl)amino]thiolan-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 18801599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).