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

C9H15NO3S — CID 102035689

IUPAC3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one
SMILESCCC[C@@H](S)CC(=O)N1CCOC1=O
InChIInChI=1S/C9H15NO3S/c1-2-3-7(14)6-8(11)10-4-5-13-9(10)12/h7,14H,2-6H2,1H3/t7-/m1/s1
InChIKeyMMBRQRTXUQPCSG-SSDOTTSWSA-N
MW217.29 g/mol
LogP1.45
Rot. Bonds4

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

3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one (PubChem CID 102035689) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one
PubChem CID102035689
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one
SMILESCCC[C@@H](S)CC(=O)N1CCOC1=O
InChIInChI=1S/C9H15NO3S/c1-2-3-7(14)6-8(11)10-4-5-13-9(10)12/h7,14H,2-6H2,1H3/t7-/m1/s1
InChIKeyMMBRQRTXUQPCSG-SSDOTTSWSA-N
XLogP1.45
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
CID 15521538
3-(4-bromo-3-propylhexanoyl)-1,3-oxazolidin-2-one
CID 134900760
2-[(3S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-yl]propanedinitrile
CID 11345675
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one
CID 11265081
3-(4-bromo-3-ethylhexanoyl)-1,3-oxazolidin-2-one
CID 15890022
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
1-(2-oxo-1,3-oxazolidin-3-yl)hexane-1,3-dione
CID 25146758
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one
CID 102445066
ethyl 2-(N-methylanilino)-4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 101139378
ethyl (2S,3S)-3-methyl-4-methylsulfanyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]butanoate
CID 15473921

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one (CID 102035689) is 3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one is CCC[C@@H](S)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one?
The InChIKey is MMBRQRTXUQPCSG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-2-3-7(14)6-8(11)10-4-5-13-9(10)12/h7,14H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of 3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one?
3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one has a molecular weight of 217.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102035689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).