cyclopropylmethylsulfonylmethylphosphane

C5H11O2PS — CID 141326904

IUPACcyclopropylmethylsulfonylmethylphosphane
SMILESO=S(=O)(CP)CC1CC1
InChIInChI=1S/C5H11O2PS/c6-9(7,4-8)3-5-1-2-5/h5H,1-4,8H2
InChIKeyAJDHRPYPKZOLRG-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.64
Rot. Bonds3

About cyclopropylmethylsulfonylmethylphosphane

cyclopropylmethylsulfonylmethylphosphane (PubChem CID 141326904) has the molecular formula C5H11O2PS and a molecular weight of 166.18 g/mol. Its IUPAC name is cyclopropylmethylsulfonylmethylphosphane.

Molecular Properties

Compound Namecyclopropylmethylsulfonylmethylphosphane
PubChem CID141326904
Molecular FormulaC5H11O2PS
Molecular Weight166.18 g/mol
Exact Mass166.02
IUPAC Namecyclopropylmethylsulfonylmethylphosphane
SMILESO=S(=O)(CP)CC1CC1
InChIInChI=1S/C5H11O2PS/c6-9(7,4-8)3-5-1-2-5/h5H,1-4,8H2
InChIKeyAJDHRPYPKZOLRG-UHFFFAOYSA-N
XLogP0.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethylsulfonylmethylphosphane?
The IUPAC name of cyclopropylmethylsulfonylmethylphosphane (CID 141326904) is cyclopropylmethylsulfonylmethylphosphane.
What is the SMILES notation for cyclopropylmethylsulfonylmethylphosphane?
The canonical SMILES for cyclopropylmethylsulfonylmethylphosphane is O=S(=O)(CP)CC1CC1.
What is the InChIKey of cyclopropylmethylsulfonylmethylphosphane?
The InChIKey is AJDHRPYPKZOLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O2PS/c6-9(7,4-8)3-5-1-2-5/h5H,1-4,8H2.
What are the key properties of cyclopropylmethylsulfonylmethylphosphane?
cyclopropylmethylsulfonylmethylphosphane has a molecular weight of 166.18 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethylsulfonylmethylphosphane is sourced from PubChem (CID 141326904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).