N-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide

C11H15ClN2O2S — CID 169098775

IUPACN-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESC[S@@](=O)c1ccc(Cl)nc1NC(=O)C(C)(C)C
InChIInChI=1S/C11H15ClN2O2S/c1-11(2,3)10(15)14-9-7(17(4)16)5-6-8(12)13-9/h5-6H,1-4H3,(H,13,14,15)/t17-/m1/s1
InChIKeyGRHHYYGPROTKAC-QGZVFWFLSA-N
MW274.77 g/mol
LogP2.46
Rot. Bonds2

About N-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide

N-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 169098775) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is N-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID169098775
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC NameN-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide
SMILESC[S@@](=O)c1ccc(Cl)nc1NC(=O)C(C)(C)C
InChIInChI=1S/C11H15ClN2O2S/c1-11(2,3)10(15)14-9-7(17(4)16)5-6-8(12)13-9/h5-6H,1-4H3,(H,13,14,15)/t17-/m1/s1
InChIKeyGRHHYYGPROTKAC-QGZVFWFLSA-N
XLogP2.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide (CID 169098775) is N-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide is C[S@@](=O)c1ccc(Cl)nc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is GRHHYYGPROTKAC-QGZVFWFLSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-11(2,3)10(15)14-9-7(17(4)16)5-6-8(12)13-9/h5-6H,1-4H3,(H,13,14,15)/t17-/m1/s1.
What are the key properties of N-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide?
N-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 274.77 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-3-[(R)-methylsulfinyl]-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 169098775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).