(4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one

C10H17NO3S — CID 134920411

IUPAC(4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C[C@H](C)S
InChIInChI=1S/C10H17NO3S/c1-6(2)8-5-14-10(13)11(8)9(12)4-7(3)15/h6-8,15H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyMNAOXKLHROSSGD-JGVFFNPUSA-N
MW231.32 g/mol
LogP1.70
Rot. Bonds3

About (4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one

(4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 134920411) has the molecular formula C10H17NO3S and a molecular weight of 231.32 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID134920411
Molecular FormulaC10H17NO3S
Molecular Weight231.32 g/mol
Exact Mass231.09
IUPAC Name(4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C[C@H](C)S
InChIInChI=1S/C10H17NO3S/c1-6(2)8-5-14-10(13)11(8)9(12)4-7(3)15/h6-8,15H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyMNAOXKLHROSSGD-JGVFFNPUSA-N
XLogP1.70
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one (CID 134920411) is (4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)C[C@H](C)S.
What is the InChIKey of (4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is MNAOXKLHROSSGD-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17NO3S/c1-6(2)8-5-14-10(13)11(8)9(12)4-7(3)15/h6-8,15H,4-5H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 231.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[(3S)-3-sulfanylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134920411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).