(4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol

C7H15NO4S — CID 130522959

IUPAC(4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol
SMILESCC(C)(C)S(=O)(=O)N1C[C@@H](O)CO1
InChIInChI=1S/C7H15NO4S/c1-7(2,3)13(10,11)8-4-6(9)5-12-8/h6,9H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyAVXMRWZJJHHNNU-ZCFIWIBFSA-N
MW209.27 g/mol
LogP-0.28
Rot. Bonds1

About (4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol

(4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol (PubChem CID 130522959) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is (4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol.

Molecular Properties

Compound Name(4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol
PubChem CID130522959
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name(4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol
SMILESCC(C)(C)S(=O)(=O)N1C[C@@H](O)CO1
InChIInChI=1S/C7H15NO4S/c1-7(2,3)13(10,11)8-4-6(9)5-12-8/h6,9H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyAVXMRWZJJHHNNU-ZCFIWIBFSA-N
XLogP-0.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol?
The IUPAC name of (4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol (CID 130522959) is (4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol.
What is the SMILES notation for (4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol?
The canonical SMILES for (4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol is CC(C)(C)S(=O)(=O)N1C[C@@H](O)CO1.
What is the InChIKey of (4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol?
The InChIKey is AVXMRWZJJHHNNU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-7(2,3)13(10,11)8-4-6(9)5-12-8/h6,9H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of (4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol?
(4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol has a molecular weight of 209.27 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-tert-butylsulfonyl-1,2-oxazolidin-4-ol is sourced from PubChem (CID 130522959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).