3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one

C11H19NO3S — CID 164683865

IUPAC3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESCCCCS[C@H](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/t9-/m1/s1
InChIKeyQTTHBADVNALZAF-SECBINFHSA-N
MW245.34 g/mol
LogP2.28
Rot. Bonds6

About 3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one

3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 164683865) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is 3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID164683865
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESCCCCS[C@H](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/t9-/m1/s1
InChIKeyQTTHBADVNALZAF-SECBINFHSA-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'}

Analyze 3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one (CID 164683865) is 3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one is CCCCS[C@H](C)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is QTTHBADVNALZAF-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of 3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-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-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 164683865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).