N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine

C10H9F3N2O2S — CID 66328092

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESO=S1(=O)C=CC(Nc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C10H9F3N2O2S/c11-10(12,13)7-1-3-14-9(5-7)15-8-2-4-18(16,17)6-8/h1-5,8H,6H2,(H,14,15)
InChIKeyOMVLCXHLAYBXOA-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.82
Rot. Bonds2

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 66328092) has the molecular formula C10H9F3N2O2S and a molecular weight of 278.26 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID66328092
Molecular FormulaC10H9F3N2O2S
Molecular Weight278.26 g/mol
Exact Mass278.03
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESO=S1(=O)C=CC(Nc2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C10H9F3N2O2S/c11-10(12,13)7-1-3-14-9(5-7)15-8-2-4-18(16,17)6-8/h1-5,8H,6H2,(H,14,15)
InChIKeyOMVLCXHLAYBXOA-UHFFFAOYSA-N
XLogP1.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 66328092) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine is O=S1(=O)C=CC(Nc2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OMVLCXHLAYBXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S/c11-10(12,13)7-1-3-14-9(5-7)15-8-2-4-18(16,17)6-8/h1-5,8H,6H2,(H,14,15).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 278.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 66328092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).