2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one

C7H13NO4S — CID 104520399

IUPAC2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one
SMILESCC(C(=O)N1CCCO1)S(C)(=O)=O
InChIInChI=1S/C7H13NO4S/c1-6(13(2,10)11)7(9)8-4-3-5-12-8/h6H,3-5H2,1-2H3
InChIKeyGYUXSQHMQVXSMJ-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.42
Rot. Bonds2

About 2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one

2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one (PubChem CID 104520399) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one
PubChem CID104520399
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one
SMILESCC(C(=O)N1CCCO1)S(C)(=O)=O
InChIInChI=1S/C7H13NO4S/c1-6(13(2,10)11)7(9)8-4-3-5-12-8/h6H,3-5H2,1-2H3
InChIKeyGYUXSQHMQVXSMJ-UHFFFAOYSA-N
XLogP-0.42
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(dimethylamino)-1-(oxazinan-2-yl)propan-1-one
CID 130734949
(2R)-1-[(2S)-2-ethylmorpholin-4-yl]-2-methylsulfonylpropan-1-one
CID 95153981
(2R)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxylic acid
CID 103953818
(2R)-2-amino-4-methylsulfanyl-1-(1,2-oxazolidin-2-yl)butan-1-one
CID 104908986
1-(4-chloropiperidin-1-yl)-2-methylsulfonylpropan-1-one
CID 104522220
1-(4-hydroxypiperidin-1-yl)-2-methylsulfonylpropan-1-one
CID 115582876
N'-hydroxy-1-(2-methylsulfonylpropanoyl)pyrrolidine-2-carboximidamide
CID 104521804
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 104520556
1-(oxazinan-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 102738612
1-[2-(1-aminoethyl)piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 112701185
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-methylsulfonylpropan-1-one
CID 104520615
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one
CID 115970115

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one?
The IUPAC name of 2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one (CID 104520399) is 2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one.
What is the SMILES notation for 2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one?
The canonical SMILES for 2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one is CC(C(=O)N1CCCO1)S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one?
The InChIKey is GYUXSQHMQVXSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-6(13(2,10)11)7(9)8-4-3-5-12-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one?
2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one has a molecular weight of 207.25 g/mol, XLogP of -0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-(1,2-oxazolidin-2-yl)propan-1-one is sourced from PubChem (CID 104520399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).