N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine

C11H13F3N2O2S — CID 63922973

IUPACN-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESO=S1(=O)CCCC(Nc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)9-4-1-5-15-10(9)16-8-3-2-6-19(17,18)7-8/h1,4-5,8H,2-3,6-7H2,(H,15,16)
InChIKeyZVYZYXKMHHIFOU-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.09
Rot. Bonds2

About N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine

N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 63922973) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID63922973
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC NameN-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESO=S1(=O)CCCC(Nc2ncccc2C(F)(F)F)C1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)9-4-1-5-15-10(9)16-8-3-2-6-19(17,18)7-8/h1,4-5,8H,2-3,6-7H2,(H,15,16)
InChIKeyZVYZYXKMHHIFOU-UHFFFAOYSA-N
XLogP2.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
CID 63922588
N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63319382
3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 63041886
3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 61373712
N-[4-methyl-3-(trifluoromethyl)phenyl]-1,1-dioxothian-3-amine
CID 63924016
N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 103704298
ethyl 2-[(1,1-dioxothian-3-yl)amino]pyridine-3-carboxylate
CID 63921994
N-(1,1-dioxothietan-3-yl)-3-fluoropyridin-2-amine
CID 130949037
N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 133377933
N-(2-tert-butylphenyl)-1,1-dioxothian-3-amine
CID 63911828
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]guanidine;hydroiodide
CID 111141966
N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 62397155

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 63922973) is N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine is O=S1(=O)CCCC(Nc2ncccc2C(F)(F)F)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZVYZYXKMHHIFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c12-11(13,14)9-4-1-5-15-10(9)16-8-3-2-6-19(17,18)7-8/h1,4-5,8H,2-3,6-7H2,(H,15,16).
What are the key properties of N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine?
N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 294.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 63922973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).