3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one

C10H17NO3S — CID 164674983

IUPAC3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one
SMILESCCCSC[C@@H](C)C(=O)N1CCOC1=O
InChIInChI=1S/C10H17NO3S/c1-3-6-15-7-8(2)9(12)11-4-5-14-10(11)13/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyZVOUYEYBPLEGQC-MRVPVSSYSA-N
MW231.32 g/mol
LogP1.74
Rot. Bonds5

About 3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one

3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 164674983) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID164674983
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one
SMILESCCCSC[C@@H](C)C(=O)N1CCOC1=O
InChIInChI=1S/C10H17NO3S/c1-3-6-15-7-8(2)9(12)11-4-5-14-10(11)13/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyZVOUYEYBPLEGQC-MRVPVSSYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.74
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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Related Compounds

(4S)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11424489
(4R)-3-(2-methylsulfanylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11127709
3-[(3S)-3-ethylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 134995112
3-[(3R)-3-butylsulfanylbutanoyl]-1,3-oxazolidin-2-one
CID 164683865
3-[(3R)-3-(2-hydroxyethylsulfanyl)butanoyl]-1,3-oxazolidin-2-one
CID 164686593
3-(3-Acetylthio-2-methylpropanoyl)-2-thiazolidinecarboxylic acid methyl ester
CID 54337559
CID 58370067
CID 58370067
(5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one
CID 67937114
3-[2-(4-Oxopentylsulfanyl)ethyl]-1,3-oxazolidin-2-one
CID 130256619
3-(2-Tert-butylsulfanylethyl)-1,3-oxazolidin-2-one
CID 130298025
3-(2-Methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane
CID 143124051
Ethane;3-(2-methylsulfanylacetyl)-1,3-oxazolidin-2-one;propane
CID 143124054

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one (CID 164674983) is 3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one is CCCSC[C@@H](C)C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is ZVOUYEYBPLEGQC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-3-6-15-7-8(2)9(12)11-4-5-14-10(11)13/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of 3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one?
3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 231.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methyl-3-propylsulfanylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 164674983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).