N-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide

C10H8BrF3N2O2S — CID 138593525

IUPACN-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide
SMILESO=C(N=S(=O)(c1ccc(Br)cn1)C1CC1)C(F)(F)F
InChIInChI=1S/C10H8BrF3N2O2S/c11-6-1-4-8(15-5-6)19(18,7-2-3-7)16-9(17)10(12,13)14/h1,4-5,7H,2-3H2
InChIKeyDCNHKRMFKAVGHE-UHFFFAOYSA-N
MW357.15 g/mol
LogP2.92
Rot. Bonds2

About N-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide

N-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide (PubChem CID 138593525) has the molecular formula C10H8BrF3N2O2S and a molecular weight of 357.15 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide
PubChem CID138593525
Molecular FormulaC10H8BrF3N2O2S
Molecular Weight357.15 g/mol
Exact Mass355.94
IUPAC NameN-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide
SMILESO=C(N=S(=O)(c1ccc(Br)cn1)C1CC1)C(F)(F)F
InChIInChI=1S/C10H8BrF3N2O2S/c11-6-1-4-8(15-5-6)19(18,7-2-3-7)16-9(17)10(12,13)14/h1,4-5,7H,2-3H2
InChIKeyDCNHKRMFKAVGHE-UHFFFAOYSA-N
XLogP2.92
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide (CID 138593525) is N-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide is O=C(N=S(=O)(c1ccc(Br)cn1)C1CC1)C(F)(F)F.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide?
The InChIKey is DCNHKRMFKAVGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N2O2S/c11-6-1-4-8(15-5-6)19(18,7-2-3-7)16-9(17)10(12,13)14/h1,4-5,7H,2-3H2.
What are the key properties of N-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide?
N-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide has a molecular weight of 357.15 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)-cyclopropyl-oxo-λ6-sulfanylidene]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 138593525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).