3-butylsulfonyl-1,3-oxazolidin-2-one

C7H13NO4S — CID 148699324

IUPAC3-butylsulfonyl-1,3-oxazolidin-2-one
SMILESCCCCS(=O)(=O)N1CCOC1=O
InChIInChI=1S/C7H13NO4S/c1-2-3-6-13(10,11)8-4-5-12-7(8)9/h2-6H2,1H3
InChIKeyNVBAUTPQZIWZRT-UHFFFAOYSA-N
MW207.25 g/mol
LogP0.57
Rot. Bonds4

About 3-butylsulfonyl-1,3-oxazolidin-2-one

3-butylsulfonyl-1,3-oxazolidin-2-one (PubChem CID 148699324) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-butylsulfonyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-butylsulfonyl-1,3-oxazolidin-2-one
PubChem CID148699324
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name3-butylsulfonyl-1,3-oxazolidin-2-one
SMILESCCCCS(=O)(=O)N1CCOC1=O
InChIInChI=1S/C7H13NO4S/c1-2-3-6-13(10,11)8-4-5-12-7(8)9/h2-6H2,1H3
InChIKeyNVBAUTPQZIWZRT-UHFFFAOYSA-N
XLogP0.57
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butylsulfonyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-butylsulfonyl-1,3-oxazolidin-2-one (CID 148699324) is 3-butylsulfonyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-butylsulfonyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-butylsulfonyl-1,3-oxazolidin-2-one is CCCCS(=O)(=O)N1CCOC1=O.
What is the InChIKey of 3-butylsulfonyl-1,3-oxazolidin-2-one?
The InChIKey is NVBAUTPQZIWZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-2-3-6-13(10,11)8-4-5-12-7(8)9/h2-6H2,1H3.
What are the key properties of 3-butylsulfonyl-1,3-oxazolidin-2-one?
3-butylsulfonyl-1,3-oxazolidin-2-one has a molecular weight of 207.25 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfonyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 148699324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).