5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine

C10H12F2N2O3S — CID 133424242

IUPAC5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
SMILESO=S1(=O)CCC(Nc2ccc(OC(F)F)cn2)C1
InChIInChI=1S/C10H12F2N2O3S/c11-10(12)17-8-1-2-9(13-5-8)14-7-3-4-18(15,16)6-7/h1-2,5,7,10H,3-4,6H2,(H,13,14)
InChIKeyCDVONHWABRRTSD-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.28
Rot. Bonds4

About 5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine

5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine (PubChem CID 133424242) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
PubChem CID133424242
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC Name5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
SMILESO=S1(=O)CCC(Nc2ccc(OC(F)F)cn2)C1
InChIInChI=1S/C10H12F2N2O3S/c11-10(12)17-8-1-2-9(13-5-8)14-7-3-4-18(15,16)6-7/h1-2,5,7,10H,3-4,6H2,(H,13,14)
InChIKeyCDVONHWABRRTSD-UHFFFAOYSA-N
XLogP1.28
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
CID 106503952
3-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 18109657
6-[(1,1-dioxothiolan-3-yl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78956287
5-(difluoromethoxy)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 97160979
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 6601387
N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159310
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113013624
N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159319
[(3S)-3-[[5-(difluoromethoxy)-2-pyridinyl]amino]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 97138669
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028633
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042936
N-[2-(difluoromethoxy)-5-methoxyphenyl]-1,1-dioxothian-3-amine
CID 63909309

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine?
The IUPAC name of 5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine (CID 133424242) is 5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine?
The canonical SMILES for 5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine is O=S1(=O)CCC(Nc2ccc(OC(F)F)cn2)C1.
What is the InChIKey of 5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine?
The InChIKey is CDVONHWABRRTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c11-10(12)17-8-1-2-9(13-5-8)14-7-3-4-18(15,16)6-7/h1-2,5,7,10H,3-4,6H2,(H,13,14).
What are the key properties of 5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine?
5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine has a molecular weight of 278.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 133424242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).