3-pentylsulfonyl-1,3-oxazolidine

C8H17NO3S — CID 173228991

IUPAC3-pentylsulfonyl-1,3-oxazolidine
SMILESCCCCCS(=O)(=O)N1CCOC1
InChIInChI=1S/C8H17NO3S/c1-2-3-4-7-13(10,11)9-5-6-12-8-9/h2-8H2,1H3
InChIKeyWODXILLUUPSBGH-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.80
Rot. Bonds5

About 3-pentylsulfonyl-1,3-oxazolidine

3-pentylsulfonyl-1,3-oxazolidine (PubChem CID 173228991) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-pentylsulfonyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-pentylsulfonyl-1,3-oxazolidine
PubChem CID173228991
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name3-pentylsulfonyl-1,3-oxazolidine
SMILESCCCCCS(=O)(=O)N1CCOC1
InChIInChI=1S/C8H17NO3S/c1-2-3-4-7-13(10,11)9-5-6-12-8-9/h2-8H2,1H3
InChIKeyWODXILLUUPSBGH-UHFFFAOYSA-N
XLogP0.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.80
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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Frequently Asked Questions

What is the IUPAC name of 3-pentylsulfonyl-1,3-oxazolidine?
The IUPAC name of 3-pentylsulfonyl-1,3-oxazolidine (CID 173228991) is 3-pentylsulfonyl-1,3-oxazolidine.
What is the SMILES notation for 3-pentylsulfonyl-1,3-oxazolidine?
The canonical SMILES for 3-pentylsulfonyl-1,3-oxazolidine is CCCCCS(=O)(=O)N1CCOC1.
What is the InChIKey of 3-pentylsulfonyl-1,3-oxazolidine?
The InChIKey is WODXILLUUPSBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-3-4-7-13(10,11)9-5-6-12-8-9/h2-8H2,1H3.
What are the key properties of 3-pentylsulfonyl-1,3-oxazolidine?
3-pentylsulfonyl-1,3-oxazolidine has a molecular weight of 207.29 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylsulfonyl-1,3-oxazolidine is sourced from PubChem (CID 173228991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).