N-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine

C10H10F4N2O2S — CID 79904407

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESO=S1(=O)CCC(CNc2c(F)c(F)nc(F)c2F)C1
InChIInChI=1S/C10H10F4N2O2S/c11-6-8(7(12)10(14)16-9(6)13)15-3-5-1-2-19(17,18)4-5/h5H,1-4H2,(H,15,16)
InChIKeyREMKXCHBBYKCBJ-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.48
Rot. Bonds3

About N-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 79904407) has the molecular formula C10H10F4N2O2S and a molecular weight of 298.26 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID79904407
Molecular FormulaC10H10F4N2O2S
Molecular Weight298.26 g/mol
Exact Mass298.04
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
SMILESO=S1(=O)CCC(CNc2c(F)c(F)nc(F)c2F)C1
InChIInChI=1S/C10H10F4N2O2S/c11-6-8(7(12)10(14)16-9(6)13)15-3-5-1-2-19(17,18)4-5/h5H,1-4H2,(H,15,16)
InChIKeyREMKXCHBBYKCBJ-UHFFFAOYSA-N
XLogP1.48
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[(3S)-1,1-dioxothiolan-3-yl]methylamino]-3,5-difluorobenzonitrile
CID 94812382
N-[(1,1-dioxothiolan-3-yl)methyl]-2,6-dimethylpyridin-4-amine
CID 114272163
2,6-dichloro-1-N-[(1,1-dioxothiolan-3-yl)methyl]benzene-1,4-diamine
CID 106890288
4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxy-1,3,5-triazin-2-amine
CID 62858145
N-[(1,1-dioxothiolan-3-yl)methyl]-2-(trifluoromethyl)aniline
CID 62315285
N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475447
N-[(1,1-dioxothiolan-3-yl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine
CID 105362481
4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80822882
4-[(1,1-dioxothiolan-3-yl)methylamino]-2,3-difluorobenzenecarbothioamide
CID 107934889
4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80908722
5-N-[(1,1-dioxothiolan-3-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534160
2-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-6-hydrazinylpyrimidin-4-amine
CID 80964275

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine (CID 79904407) is N-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine is O=S1(=O)CCC(CNc2c(F)c(F)nc(F)c2F)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is REMKXCHBBYKCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O2S/c11-6-8(7(12)10(14)16-9(6)13)15-3-5-1-2-19(17,18)4-5/h5H,1-4H2,(H,15,16).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 298.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 79904407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).