4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one

C7H13NO2S — CID 13137472

IUPAC4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one
SMILESCC(C)(CO)SC1CC(=O)N1
InChIInChI=1S/C7H13NO2S/c1-7(2,4-9)11-6-3-5(10)8-6/h6,9H,3-4H2,1-2H3,(H,8,10)
InChIKeyKLYVTOHAEIIQEP-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.34
Rot. Bonds3

About 4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one

4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one (PubChem CID 13137472) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one
PubChem CID13137472
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one
SMILESCC(C)(CO)SC1CC(=O)N1
InChIInChI=1S/C7H13NO2S/c1-7(2,4-9)11-6-3-5(10)8-6/h6,9H,3-4H2,1-2H3,(H,8,10)
InChIKeyKLYVTOHAEIIQEP-UHFFFAOYSA-N
XLogP0.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one?
The IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one (CID 13137472) is 4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one.
What is the SMILES notation for 4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one?
The canonical SMILES for 4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one is CC(C)(CO)SC1CC(=O)N1.
What is the InChIKey of 4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one?
The InChIKey is KLYVTOHAEIIQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-7(2,4-9)11-6-3-5(10)8-6/h6,9H,3-4H2,1-2H3,(H,8,10).
What are the key properties of 4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one?
4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one has a molecular weight of 175.25 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylpropan-2-yl)sulfanylazetidin-2-one is sourced from PubChem (CID 13137472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).