[(1R,2S)-2-phenylcyclopentyl] methanesulfonate

C12H16O3S — CID 121416459

IUPAC[(1R,2S)-2-phenylcyclopentyl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1CCC[C@H]1c1ccccc1
InChIInChI=1S/C12H16O3S/c1-16(13,14)15-12-9-5-8-11(12)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3/t11-,12+/m0/s1
InChIKeySFERAMFJIXTVBG-NWDGAFQWSA-N
MW240.32 g/mol
LogP2.30
Rot. Bonds3

About [(1R,2S)-2-phenylcyclopentyl] methanesulfonate

[(1R,2S)-2-phenylcyclopentyl] methanesulfonate (PubChem CID 121416459) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is [(1R,2S)-2-phenylcyclopentyl] methanesulfonate.

Molecular Properties

Compound Name[(1R,2S)-2-phenylcyclopentyl] methanesulfonate
PubChem CID121416459
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name[(1R,2S)-2-phenylcyclopentyl] methanesulfonate
SMILESCS(=O)(=O)O[C@@H]1CCC[C@H]1c1ccccc1
InChIInChI=1S/C12H16O3S/c1-16(13,14)15-12-9-5-8-11(12)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3/t11-,12+/m0/s1
InChIKeySFERAMFJIXTVBG-NWDGAFQWSA-N
XLogP2.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(1,1-dioxo-4-phenylthiolan-3-yl) methanesulfonate
CID 130439491
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
(2-phenylcyclohexyl) formate
CID 87286934
[(1S,2R)-2-[(1S)-1-diphenylphosphanyl-2-methylpropyl]cyclopentyl] methanesulfonate
CID 11502314
[(1R,2R)-2-phenylcyclohexyl] [(1S,2R)-2-phenylcyclohexyl] [(1S,2S)-2-phenylcyclohexyl] borate
CID 125124690
[(1R,2S)-2-phenylcyclohexyl] (E)-5-methylsulfonyloxypent-2-enoate
CID 10689342
[(1R,2S)-2-phenylcyclohexyl] carbonochloridate
CID 15691294
(2-methylcyclopentyl)benzene
CID 12600454
[(1R,2S)-2-phenylcyclohexyl] N-[[(1R,2S)-2-phenylcyclohexyl]oxycarbonylamino]carbamate
CID 134883244
[(1R,2S)-2-phenylcyclohexyl]oxyphosphinite
CID 102484366
decyl-oxo-[(1R,2S)-2-phenylcyclohexyl]oxyphosphanium
CID 177438388
CID 135048454
CID 135048454

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-phenylcyclopentyl] methanesulfonate?
The IUPAC name of [(1R,2S)-2-phenylcyclopentyl] methanesulfonate (CID 121416459) is [(1R,2S)-2-phenylcyclopentyl] methanesulfonate.
What is the SMILES notation for [(1R,2S)-2-phenylcyclopentyl] methanesulfonate?
The canonical SMILES for [(1R,2S)-2-phenylcyclopentyl] methanesulfonate is CS(=O)(=O)O[C@@H]1CCC[C@H]1c1ccccc1.
What is the InChIKey of [(1R,2S)-2-phenylcyclopentyl] methanesulfonate?
The InChIKey is SFERAMFJIXTVBG-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H16O3S/c1-16(13,14)15-12-9-5-8-11(12)10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of [(1R,2S)-2-phenylcyclopentyl] methanesulfonate?
[(1R,2S)-2-phenylcyclopentyl] methanesulfonate has a molecular weight of 240.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-phenylcyclopentyl] methanesulfonate is sourced from PubChem (CID 121416459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).