2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine

C13H21NO2S — CID 102521515

IUPAC2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine
SMILESCC[C@H](CC(C)C)CS(=O)(=O)c1ccccn1
InChIInChI=1S/C13H21NO2S/c1-4-12(9-11(2)3)10-17(15,16)13-7-5-6-8-14-13/h5-8,11-12H,4,9-10H2,1-3H3/t12-/m1/s1
InChIKeyRSABDMAIONQXDP-GFCCVEGCSA-N
MW255.38 g/mol
LogP2.93
Rot. Bonds6

About 2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine

2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine (PubChem CID 102521515) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine.

Molecular Properties

Compound Name2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine
PubChem CID102521515
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine
SMILESCC[C@H](CC(C)C)CS(=O)(=O)c1ccccn1
InChIInChI=1S/C13H21NO2S/c1-4-12(9-11(2)3)10-17(15,16)13-7-5-6-8-14-13/h5-8,11-12H,4,9-10H2,1-3H3/t12-/m1/s1
InChIKeyRSABDMAIONQXDP-GFCCVEGCSA-N
XLogP2.93
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine?
The IUPAC name of 2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine (CID 102521515) is 2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine.
What is the SMILES notation for 2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine?
The canonical SMILES for 2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine is CC[C@H](CC(C)C)CS(=O)(=O)c1ccccn1.
What is the InChIKey of 2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine?
The InChIKey is RSABDMAIONQXDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-4-12(9-11(2)3)10-17(15,16)13-7-5-6-8-14-13/h5-8,11-12H,4,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine?
2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine has a molecular weight of 255.38 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine is sourced from PubChem (CID 102521515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).