N-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide

C11H14Cl2N2O2S — CID 162396778

IUPACN-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[S@@](=O)Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2S/c1-11(2,3)10(16)15-18(17)6-7-4-8(12)14-9(13)5-7/h4-5H,6H2,1-3H3,(H,15,16)/t18-/m0/s1
InChIKeyUQZRFPBPVJKZMQ-SFHVURJKSA-N
MW309.22 g/mol
LogP2.71
Rot. Bonds3

About N-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide

N-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide (PubChem CID 162396778) has the molecular formula C11H14Cl2N2O2S and a molecular weight of 309.22 g/mol. Its IUPAC name is N-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide
PubChem CID162396778
Molecular FormulaC11H14Cl2N2O2S
Molecular Weight309.22 g/mol
Exact Mass308.02
IUPAC NameN-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[S@@](=O)Cc1cc(Cl)nc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O2S/c1-11(2,3)10(16)15-18(17)6-7-4-8(12)14-9(13)5-7/h4-5H,6H2,1-3H3,(H,15,16)/t18-/m0/s1
InChIKeyUQZRFPBPVJKZMQ-SFHVURJKSA-N
XLogP2.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 52.71
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-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide (CID 162396778) is N-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[S@@](=O)Cc1cc(Cl)nc(Cl)c1.
What is the InChIKey of N-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide?
The InChIKey is UQZRFPBPVJKZMQ-SFHVURJKSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S/c1-11(2,3)10(16)15-18(17)6-7-4-8(12)14-9(13)5-7/h4-5H,6H2,1-3H3,(H,15,16)/t18-/m0/s1.
What are the key properties of N-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide?
N-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide has a molecular weight of 309.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2,6-dichloro-4-pyridinyl)methylsulfinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 162396778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).