3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one

C5H9NO4S — CID 21280292

IUPAC3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one
SMILESCS(=O)(=O)C1NC(=O)C1CO
InChIInChI=1S/C5H9NO4S/c1-11(9,10)5-3(2-7)4(8)6-5/h3,5,7H,2H2,1H3,(H,6,8)
InChIKeyRHRKYELMYBDALK-UHFFFAOYSA-N
MW179.20 g/mol
LogP-1.90
Rot. Bonds2

About 3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one

3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one (PubChem CID 21280292) has the molecular formula C5H9NO4S and a molecular weight of 179.20 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one
PubChem CID21280292
Molecular FormulaC5H9NO4S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one
SMILESCS(=O)(=O)C1NC(=O)C1CO
InChIInChI=1S/C5H9NO4S/c1-11(9,10)5-3(2-7)4(8)6-5/h3,5,7H,2H2,1H3,(H,6,8)
InChIKeyRHRKYELMYBDALK-UHFFFAOYSA-N
XLogP-1.90
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 18604773
3-(S)-hydroxymethyl-4-(R)-tert.-butylsulphonyl-2-azetidinone
CID 18604774
4-Tert-butylsulfonyl-3-(hydroxymethyl)azetidin-2-one
CID 20232810
3-(2-Hydroxypropan-2-yl)-4-methylsulfonylazetidin-2-one
CID 20253362
(3S,4R)-3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one
CID 56612044
(3R,4R)-4-tert-butylsulfonyl-3-(1-hydroxyethyl)azetidin-2-one
CID 67885459
4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 67931689
(4R)-3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one
CID 70448325
3-Ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one
CID 13137496
3-(1-Hydroxyethyl)-4-methylsulfonylazetidin-2-one
CID 13959735

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one?
The IUPAC name of 3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one (CID 21280292) is 3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one.
What is the SMILES notation for 3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one?
The canonical SMILES for 3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one is CS(=O)(=O)C1NC(=O)C1CO.
What is the InChIKey of 3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one?
The InChIKey is RHRKYELMYBDALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4S/c1-11(9,10)5-3(2-7)4(8)6-5/h3,5,7H,2H2,1H3,(H,6,8).
What are the key properties of 3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one?
3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one has a molecular weight of 179.20 g/mol, XLogP of -1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4-methylsulfonylazetidin-2-one is sourced from PubChem (CID 21280292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).