(5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one

C12H23NO2S — CID 67937114

IUPAC(5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one
SMILESCC(C)CN1C[C@H](CCSC(C)C)OC1=O
InChIInChI=1S/C12H23NO2S/c1-9(2)7-13-8-11(15-12(13)14)5-6-16-10(3)4/h9-11H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyAAUJSRHJUAYCOB-NSHDSACASA-N
MW245.39 g/mol
LogP2.99
Rot. Bonds6

About (5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one

(5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one (PubChem CID 67937114) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is (5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one
PubChem CID67937114
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name(5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one
SMILESCC(C)CN1C[C@H](CCSC(C)C)OC1=O
InChIInChI=1S/C12H23NO2S/c1-9(2)7-13-8-11(15-12(13)14)5-6-16-10(3)4/h9-11H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyAAUJSRHJUAYCOB-NSHDSACASA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one (CID 67937114) is (5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one is CC(C)CN1C[C@H](CCSC(C)C)OC1=O.
What is the InChIKey of (5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one?
The InChIKey is AAUJSRHJUAYCOB-NSHDSACASA-N. The full InChI is InChI=1S/C12H23NO2S/c1-9(2)7-13-8-11(15-12(13)14)5-6-16-10(3)4/h9-11H,5-8H2,1-4H3/t11-/m0/s1.
What are the key properties of (5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one?
(5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one has a molecular weight of 245.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2-methylpropyl)-5-(2-propan-2-ylsulfanylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 67937114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).