(2R)-2-(cyclopentylsulfonylmethyl)oxirane

C8H14O3S — CID 130493483

IUPAC(2R)-2-(cyclopentylsulfonylmethyl)oxirane
SMILESO=S(=O)(C[C@H]1CO1)C1CCCC1
InChIInChI=1S/C8H14O3S/c9-12(10,6-7-5-11-7)8-3-1-2-4-8/h7-8H,1-6H2/t7-/m1/s1
InChIKeyLUQPYNWWRNVKLL-SSDOTTSWSA-N
MW190.26 g/mol
LogP0.74
Rot. Bonds3

About (2R)-2-(cyclopentylsulfonylmethyl)oxirane

(2R)-2-(cyclopentylsulfonylmethyl)oxirane (PubChem CID 130493483) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is (2R)-2-(cyclopentylsulfonylmethyl)oxirane.

Molecular Properties

Compound Name(2R)-2-(cyclopentylsulfonylmethyl)oxirane
PubChem CID130493483
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name(2R)-2-(cyclopentylsulfonylmethyl)oxirane
SMILESO=S(=O)(C[C@H]1CO1)C1CCCC1
InChIInChI=1S/C8H14O3S/c9-12(10,6-7-5-11-7)8-3-1-2-4-8/h7-8H,1-6H2/t7-/m1/s1
InChIKeyLUQPYNWWRNVKLL-SSDOTTSWSA-N
XLogP0.74
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopentylsulfonylmethyl)oxirane?
The IUPAC name of (2R)-2-(cyclopentylsulfonylmethyl)oxirane (CID 130493483) is (2R)-2-(cyclopentylsulfonylmethyl)oxirane.
What is the SMILES notation for (2R)-2-(cyclopentylsulfonylmethyl)oxirane?
The canonical SMILES for (2R)-2-(cyclopentylsulfonylmethyl)oxirane is O=S(=O)(C[C@H]1CO1)C1CCCC1.
What is the InChIKey of (2R)-2-(cyclopentylsulfonylmethyl)oxirane?
The InChIKey is LUQPYNWWRNVKLL-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14O3S/c9-12(10,6-7-5-11-7)8-3-1-2-4-8/h7-8H,1-6H2/t7-/m1/s1.
What are the key properties of (2R)-2-(cyclopentylsulfonylmethyl)oxirane?
(2R)-2-(cyclopentylsulfonylmethyl)oxirane has a molecular weight of 190.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopentylsulfonylmethyl)oxirane is sourced from PubChem (CID 130493483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).