(3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one

C9H17NO4S — CID 18604773

IUPAC(3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N[C@@H]1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H17NO4S/c1-5(11)6-7(12)10-8(6)15(13,14)9(2,3)4/h5-6,8,11H,1-4H3,(H,10,12)/t5-,6+,8-/m1/s1
InChIKeyVHLLTCXLYKZYFP-GKROBHDKSA-N
MW235.30 g/mol
LogP-0.35
Rot. Bonds2

About (3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one

(3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one (PubChem CID 18604773) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is (3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one
PubChem CID18604773
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name(3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N[C@@H]1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H17NO4S/c1-5(11)6-7(12)10-8(6)15(13,14)9(2,3)4/h5-6,8,11H,1-4H3,(H,10,12)/t5-,6+,8-/m1/s1
InChIKeyVHLLTCXLYKZYFP-GKROBHDKSA-N
XLogP-0.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The IUPAC name of (3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one (CID 18604773) is (3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one is C[C@@H](O)[C@H]1C(=O)N[C@@H]1S(=O)(=O)C(C)(C)C.
What is the InChIKey of (3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The InChIKey is VHLLTCXLYKZYFP-GKROBHDKSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-5(11)6-7(12)10-8(6)15(13,14)9(2,3)4/h5-6,8,11H,1-4H3,(H,10,12)/t5-,6+,8-/m1/s1.
What are the key properties of (3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
(3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one has a molecular weight of 235.30 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-tert-butylsulfonyl-3-[(1R)-1-hydroxyethyl]azetidin-2-one is sourced from PubChem (CID 18604773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).