3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one

C10H13NO3S — CID 22847903

IUPAC3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCSC1=C(C)C[C@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C10H13NO3S/c1-6-5-7(8(6)15-2)9(12)11-3-4-14-10(11)13/h7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyUXMKZAUJRYBQRQ-SSDOTTSWSA-N
MW227.28 g/mol
LogP1.62
Rot. Bonds2

About 3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one

3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 22847903) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one
PubChem CID22847903
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCSC1=C(C)C[C@H]1C(=O)N1CCOC1=O
InChIInChI=1S/C10H13NO3S/c1-6-5-7(8(6)15-2)9(12)11-3-4-14-10(11)13/h7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyUXMKZAUJRYBQRQ-SSDOTTSWSA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one (CID 22847903) is 3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one is CSC1=C(C)C[C@H]1C(=O)N1CCOC1=O.
What is the InChIKey of 3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is UXMKZAUJRYBQRQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-6-5-7(8(6)15-2)9(12)11-3-4-14-10(11)13/h7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of 3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one?
3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 227.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-3-methyl-2-methylsulfanylcyclobut-2-ene-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22847903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).