3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one

C11H19NO3S — CID 11265081

IUPAC3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one
SMILESCCCCSC(C)CC(=O)N1CCOC1=O
InChIInChI=1S/C11H19NO3S/c1-3-4-7-16-9(2)8-10(13)12-5-6-15-11(12)14/h9H,3-8H2,1-2H3
InChIKeyQTTHBADVNALZAF-UHFFFAOYSA-N
MW245.34 g/mol
LogP2.28
Rot. Bonds6

About 3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one

3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one (PubChem CID 11265081) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one
PubChem CID11265081
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one
SMILESCCCCSC(C)CC(=O)N1CCOC1=O
InChIInChI=1S/C11H19NO3S/c1-3-4-7-16-9(2)8-10(13)12-5-6-15-11(12)14/h9H,3-8H2,1-2H3
InChIKeyQTTHBADVNALZAF-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one (CID 11265081) is 3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one is CCCCSC(C)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one?
The InChIKey is QTTHBADVNALZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-3-4-7-16-9(2)8-10(13)12-5-6-15-11(12)14/h9H,3-8H2,1-2H3.
What are the key properties of 3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one?
3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one has a molecular weight of 245.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11265081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).