3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine

C10H10ClF3N2O2S — CID 28548311

IUPAC3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=S1(=O)CC[C@H](Nc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C10H10ClF3N2O2S/c11-8-3-6(10(12,13)14)4-15-9(8)16-7-1-2-19(17,18)5-7/h3-4,7H,1-2,5H2,(H,15,16)/t7-/m0/s1
InChIKeyVNHSRACBMIAAMH-ZETCQYMHSA-N
MW314.72 g/mol
LogP2.35
Rot. Bonds2

About 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 28548311) has the molecular formula C10H10ClF3N2O2S and a molecular weight of 314.72 g/mol. Its IUPAC name is 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID28548311
Molecular FormulaC10H10ClF3N2O2S
Molecular Weight314.72 g/mol
Exact Mass314.01
IUPAC Name3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESO=S1(=O)CC[C@H](Nc2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C10H10ClF3N2O2S/c11-8-3-6(10(12,13)14)4-15-9(8)16-7-1-2-19(17,18)5-7/h3-4,7H,1-2,5H2,(H,15,16)/t7-/m0/s1
InChIKeyVNHSRACBMIAAMH-ZETCQYMHSA-N
XLogP2.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 28548311) is 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine is O=S1(=O)CC[C@H](Nc2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VNHSRACBMIAAMH-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2S/c11-8-3-6(10(12,13)14)4-15-9(8)16-7-1-2-19(17,18)5-7/h3-4,7H,1-2,5H2,(H,15,16)/t7-/m0/s1.
What are the key properties of 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 314.72 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 28548311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).