(3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one

C7H13NO2S — CID 131861556

IUPAC(3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one
SMILESCC[C@H]1C(=O)N[C@@H]1SCCO
InChIInChI=1S/C7H13NO2S/c1-2-5-6(10)8-7(5)11-4-3-9/h5,7,9H,2-4H2,1H3,(H,8,10)/t5-,7+/m0/s1
InChIKeyZUMWEJBXNLPOJY-CAHLUQPWSA-N
MW175.25 g/mol
LogP0.19
Rot. Bonds4

About (3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one

(3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one (PubChem CID 131861556) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is (3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one
PubChem CID131861556
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name(3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one
SMILESCC[C@H]1C(=O)N[C@@H]1SCCO
InChIInChI=1S/C7H13NO2S/c1-2-5-6(10)8-7(5)11-4-3-9/h5,7,9H,2-4H2,1H3,(H,8,10)/t5-,7+/m0/s1
InChIKeyZUMWEJBXNLPOJY-CAHLUQPWSA-N
XLogP0.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-Hydroxyethyl)sulfanyl]azetidin-2-one
CID 13137484
4-(1-Hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one
CID 13137472
4-(3-Hydroxypropylsulfanyl)azetidin-2-one
CID 57399164
S-(3-ethyl-4-oxoazetidin-2-yl) ethanethioate
CID 12780254
S-(4-oxo-3-propan-2-ylazetidin-2-yl) ethanethioate
CID 23035681
4-Acetylthio-3-methyl-2-oxoazetidine
CID 23035702
(4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one
CID 54357707
(4S)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one
CID 56606360
3-(1-Hydroxyethyl)-4-pentylsulfanylazetidin-2-one
CID 67722797
3-[(1R)-1-hydroxyethyl]-4-pentylsulfanylazetidin-2-one
CID 67722862
(4S)-4-(1-hydroxypropylsulfanyl)azetidin-2-one
CID 70505658
4-Methylsulfanyl-3-propan-2-ylazetidin-2-one
CID 175632094

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one?
The IUPAC name of (3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one (CID 131861556) is (3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one?
The canonical SMILES for (3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one is CC[C@H]1C(=O)N[C@@H]1SCCO.
What is the InChIKey of (3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one?
The InChIKey is ZUMWEJBXNLPOJY-CAHLUQPWSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-5-6(10)8-7(5)11-4-3-9/h5,7,9H,2-4H2,1H3,(H,8,10)/t5-,7+/m0/s1.
What are the key properties of (3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one?
(3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one has a molecular weight of 175.25 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-ethyl-4-(2-hydroxyethylsulfanyl)azetidin-2-one is sourced from PubChem (CID 131861556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).