(4R)-4-(benzenesulfonylmethyl)azetidin-2-one

C10H11NO3S — CID 139898279

IUPAC(4R)-4-(benzenesulfonylmethyl)azetidin-2-one
SMILESO=C1C[C@H](CS(=O)(=O)c2ccccc2)N1
InChIInChI=1S/C10H11NO3S/c12-10-6-8(11-10)7-15(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,12)/t8-/m1/s1
InChIKeyCEXJRNZNDUTVQZ-MRVPVSSYSA-N
MW225.27 g/mol
LogP0.35
Rot. Bonds3

About (4R)-4-(benzenesulfonylmethyl)azetidin-2-one

(4R)-4-(benzenesulfonylmethyl)azetidin-2-one (PubChem CID 139898279) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is (4R)-4-(benzenesulfonylmethyl)azetidin-2-one.

Molecular Properties

Compound Name(4R)-4-(benzenesulfonylmethyl)azetidin-2-one
PubChem CID139898279
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name(4R)-4-(benzenesulfonylmethyl)azetidin-2-one
SMILESO=C1C[C@H](CS(=O)(=O)c2ccccc2)N1
InChIInChI=1S/C10H11NO3S/c12-10-6-8(11-10)7-15(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,12)/t8-/m1/s1
InChIKeyCEXJRNZNDUTVQZ-MRVPVSSYSA-N
XLogP0.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(4R)-4-(benzenesulfonyl)azetidin-2-one
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CID 10821857

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(benzenesulfonylmethyl)azetidin-2-one?
The IUPAC name of (4R)-4-(benzenesulfonylmethyl)azetidin-2-one (CID 139898279) is (4R)-4-(benzenesulfonylmethyl)azetidin-2-one.
What is the SMILES notation for (4R)-4-(benzenesulfonylmethyl)azetidin-2-one?
The canonical SMILES for (4R)-4-(benzenesulfonylmethyl)azetidin-2-one is O=C1C[C@H](CS(=O)(=O)c2ccccc2)N1.
What is the InChIKey of (4R)-4-(benzenesulfonylmethyl)azetidin-2-one?
The InChIKey is CEXJRNZNDUTVQZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-10-6-8(11-10)7-15(13,14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,12)/t8-/m1/s1.
What are the key properties of (4R)-4-(benzenesulfonylmethyl)azetidin-2-one?
(4R)-4-(benzenesulfonylmethyl)azetidin-2-one has a molecular weight of 225.27 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(benzenesulfonylmethyl)azetidin-2-one is sourced from PubChem (CID 139898279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).