3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one

C7H13NO4S — CID 13137496

IUPAC3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one
SMILESCCC1C(=O)NC1S(=O)(=O)CCO
InChIInChI=1S/C7H13NO4S/c1-2-5-6(10)8-7(5)13(11,12)4-3-9/h5,7,9H,2-4H2,1H3,(H,8,10)
InChIKeyJKIKPYVODVXTHQ-UHFFFAOYSA-N
MW207.25 g/mol
LogP-1.12
Rot. Bonds4

About 3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one

3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one (PubChem CID 13137496) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one
PubChem CID13137496
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one
SMILESCCC1C(=O)NC1S(=O)(=O)CCO
InChIInChI=1S/C7H13NO4S/c1-2-5-6(10)8-7(5)13(11,12)4-3-9/h5,7,9H,2-4H2,1H3,(H,8,10)
InChIKeyJKIKPYVODVXTHQ-UHFFFAOYSA-N
XLogP-1.12
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-1.12
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
(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
4-Ethylsulfonyl-3-(2-hydroxypropyl)azetidin-2-one
CID 70553027
(3S,4R)-3-ethyl-4-methylsulfonylazetidin-2-one
CID 174178615
3-(1-Hydroxyethyl)-4-methylsulfonylazetidin-2-one
CID 13959735
3-(Hydroxymethyl)-4-methylsulfonylazetidin-2-one
CID 21280292
(3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one
CID 131861556

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one?
The IUPAC name of 3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one (CID 13137496) is 3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one?
The canonical SMILES for 3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one is CCC1C(=O)NC1S(=O)(=O)CCO.
What is the InChIKey of 3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one?
The InChIKey is JKIKPYVODVXTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-2-5-6(10)8-7(5)13(11,12)4-3-9/h5,7,9H,2-4H2,1H3,(H,8,10).
What are the key properties of 3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one?
3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one has a molecular weight of 207.25 g/mol, XLogP of -1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-hydroxyethylsulfonyl)azetidin-2-one is sourced from PubChem (CID 13137496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).