(4R)-2-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol

C8H15NO4S — CID 130993802

IUPAC(4R)-2-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol
SMILESO=S(=O)(CC1CCC1)N1C[C@@H](O)CO1
InChIInChI=1S/C8H15NO4S/c10-8-4-9(13-5-8)14(11,12)6-7-2-1-3-7/h7-8,10H,1-6H2/t8-/m1/s1
InChIKeyBCGCRGQEEFTJBM-MRVPVSSYSA-N
MW221.28 g/mol
LogP-0.28
Rot. Bonds3

About (4R)-2-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol

(4R)-2-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol (PubChem CID 130993802) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is (4R)-2-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol.

Molecular Properties

Compound Name(4R)-2-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol
PubChem CID130993802
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name(4R)-2-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol
SMILESO=S(=O)(CC1CCC1)N1C[C@@H](O)CO1
InChIInChI=1S/C8H15NO4S/c10-8-4-9(13-5-8)14(11,12)6-7-2-1-3-7/h7-8,10H,1-6H2/t8-/m1/s1
InChIKeyBCGCRGQEEFTJBM-MRVPVSSYSA-N
XLogP-0.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
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-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol?
The IUPAC name of (4R)-2-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol (CID 130993802) is (4R)-2-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol.
What is the SMILES notation for (4R)-2-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol?
The canonical SMILES for (4R)-2-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol is O=S(=O)(CC1CCC1)N1C[C@@H](O)CO1.
What is the InChIKey of (4R)-2-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol?
The InChIKey is BCGCRGQEEFTJBM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15NO4S/c10-8-4-9(13-5-8)14(11,12)6-7-2-1-3-7/h7-8,10H,1-6H2/t8-/m1/s1.
What are the key properties of (4R)-2-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol?
(4R)-2-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol has a molecular weight of 221.28 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(cyclobutylmethylsulfonyl)-1,2-oxazolidin-4-ol is sourced from PubChem (CID 130993802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).