(4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one

C6H11NO2S — CID 54357707

IUPAC(4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one
SMILESC[C@H](CO)S[C@@H]1CC(=O)N1
InChIInChI=1S/C6H11NO2S/c1-4(3-8)10-6-2-5(9)7-6/h4,6,8H,2-3H2,1H3,(H,7,9)/t4-,6-/m1/s1
InChIKeyUKHAPWQIWJBSPQ-INEUFUBQSA-N
MW161.23 g/mol
LogP-0.05
Rot. Bonds3

About (4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one

(4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one (PubChem CID 54357707) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is (4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one
PubChem CID54357707
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name(4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one
SMILESC[C@H](CO)S[C@@H]1CC(=O)N1
InChIInChI=1S/C6H11NO2S/c1-4(3-8)10-6-2-5(9)7-6/h4,6,8H,2-3H2,1H3,(H,7,9)/t4-,6-/m1/s1
InChIKeyUKHAPWQIWJBSPQ-INEUFUBQSA-N
XLogP-0.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one?
The IUPAC name of (4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one (CID 54357707) is (4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one.
What is the SMILES notation for (4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one?
The canonical SMILES for (4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one is C[C@H](CO)S[C@@H]1CC(=O)N1.
What is the InChIKey of (4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one?
The InChIKey is UKHAPWQIWJBSPQ-INEUFUBQSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-4(3-8)10-6-2-5(9)7-6/h4,6,8H,2-3H2,1H3,(H,7,9)/t4-,6-/m1/s1.
What are the key properties of (4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one?
(4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one has a molecular weight of 161.23 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R)-1-hydroxypropan-2-yl]sulfanylazetidin-2-one is sourced from PubChem (CID 54357707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).