3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one

C10H15NO3S2 — CID 14862236

IUPAC3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one
SMILESCSC1(SC)CCC1C(=O)N1CCOC1=O
InChIInChI=1S/C10H15NO3S2/c1-15-10(16-2)4-3-7(10)8(12)11-5-6-14-9(11)13/h7H,3-6H2,1-2H3
InChIKeyRXXKAEOXAZNCAJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.80
Rot. Bonds3

About 3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one

3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one (PubChem CID 14862236) has the molecular formula C10H15NO3S2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one
PubChem CID14862236
Molecular FormulaC10H15NO3S2
Molecular Weight261.37 g/mol
Exact Mass261.05
IUPAC Name3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one
SMILESCSC1(SC)CCC1C(=O)N1CCOC1=O
InChIInChI=1S/C10H15NO3S2/c1-15-10(16-2)4-3-7(10)8(12)11-5-6-14-9(11)13/h7H,3-6H2,1-2H3
InChIKeyRXXKAEOXAZNCAJ-UHFFFAOYSA-N
XLogP1.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one (CID 14862236) is 3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one is CSC1(SC)CCC1C(=O)N1CCOC1=O.
What is the InChIKey of 3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one?
The InChIKey is RXXKAEOXAZNCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S2/c1-15-10(16-2)4-3-7(10)8(12)11-5-6-14-9(11)13/h7H,3-6H2,1-2H3.
What are the key properties of 3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one?
3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 14862236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).