2-[(2R)-2-methylheptyl]sulfonylpyridine

C13H21NO2S — CID 102521509

IUPAC2-[(2R)-2-methylheptyl]sulfonylpyridine
SMILESCCCCC[C@@H](C)CS(=O)(=O)c1ccccn1
InChIInChI=1S/C13H21NO2S/c1-3-4-5-8-12(2)11-17(15,16)13-9-6-7-10-14-13/h6-7,9-10,12H,3-5,8,11H2,1-2H3/t12-/m1/s1
InChIKeyNFKOEZZKTAUNHI-GFCCVEGCSA-N
MW255.38 g/mol
LogP3.07
Rot. Bonds7

About 2-[(2R)-2-methylheptyl]sulfonylpyridine

2-[(2R)-2-methylheptyl]sulfonylpyridine (PubChem CID 102521509) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-[(2R)-2-methylheptyl]sulfonylpyridine.

Molecular Properties

Compound Name2-[(2R)-2-methylheptyl]sulfonylpyridine
PubChem CID102521509
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name2-[(2R)-2-methylheptyl]sulfonylpyridine
SMILESCCCCC[C@@H](C)CS(=O)(=O)c1ccccn1
InChIInChI=1S/C13H21NO2S/c1-3-4-5-8-12(2)11-17(15,16)13-9-6-7-10-14-13/h6-7,9-10,12H,3-5,8,11H2,1-2H3/t12-/m1/s1
InChIKeyNFKOEZZKTAUNHI-GFCCVEGCSA-N
XLogP3.07
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-2-ethyl-4-methylpentyl]sulfonylpyridine
CID 102521515
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
2-[(2R)-2-phenylbutyl]sulfonylpyridine
CID 24898450
2-(3-methyloctyl)pyridine;hydrochloride
CID 172780204
2-propylsulfonylpyridine tetrafluoroborate
CID 175603723
octyl pyridine-2-sulfonate
CID 14266027
2-tridecan-6-ylpyridine
CID 139295924
tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane
CID 11598029
N-[(1R)-1-phenylpentyl]pyridine-2-sulfonamide
CID 101377427
[(4S)-4-methyloctadecyl]sulfonylbenzene
CID 10645166
(2R)-1-phenoxy-3-pyridin-2-ylsulfonylpropan-2-ol
CID 685739
2-(chloromethylsulfonyl)pyridine
CID 54090294

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylheptyl]sulfonylpyridine?
The IUPAC name of 2-[(2R)-2-methylheptyl]sulfonylpyridine (CID 102521509) is 2-[(2R)-2-methylheptyl]sulfonylpyridine.
What is the SMILES notation for 2-[(2R)-2-methylheptyl]sulfonylpyridine?
The canonical SMILES for 2-[(2R)-2-methylheptyl]sulfonylpyridine is CCCCC[C@@H](C)CS(=O)(=O)c1ccccn1.
What is the InChIKey of 2-[(2R)-2-methylheptyl]sulfonylpyridine?
The InChIKey is NFKOEZZKTAUNHI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-3-4-5-8-12(2)11-17(15,16)13-9-6-7-10-14-13/h6-7,9-10,12H,3-5,8,11H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(2R)-2-methylheptyl]sulfonylpyridine?
2-[(2R)-2-methylheptyl]sulfonylpyridine has a molecular weight of 255.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylheptyl]sulfonylpyridine is sourced from PubChem (CID 102521509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).