2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide

C11H14N2O4S — CID 101184823

IUPAC2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide
SMILESO=C(CN1C(Cc2ccccc2)CS1(=O)=O)NO
InChIInChI=1S/C11H14N2O4S/c14-11(12-15)7-13-10(8-18(13,16)17)6-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,12,14)
InChIKeyICBFTCOGEDTOGJ-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.25
Rot. Bonds4

About 2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide

2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide (PubChem CID 101184823) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide
PubChem CID101184823
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide
SMILESO=C(CN1C(Cc2ccccc2)CS1(=O)=O)NO
InChIInChI=1S/C11H14N2O4S/c14-11(12-15)7-13-10(8-18(13,16)17)6-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,12,14)
InChIKeyICBFTCOGEDTOGJ-UHFFFAOYSA-N
XLogP-0.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-2-benzyl-3-(2-methylpropyl)thiazetidine 1,1-dioxide
CID 131857515
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 135240996
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
methyl 2-benzylazepane-1-carboxylate
CID 102314657
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide
CID 35564106
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
1-(2-benzyl-4-methylpiperazin-1-yl)ethanone
CID 59474156
(2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
CID 95310188
(2R)-2-benzyl-1-methylaziridine
CID 87174257
2-(1-benzylsulfonylpiperidin-4-yl)-N-hydroxyacetamide
CID 54583088
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide?
The IUPAC name of 2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide (CID 101184823) is 2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide?
The canonical SMILES for 2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide is O=C(CN1C(Cc2ccccc2)CS1(=O)=O)NO.
What is the InChIKey of 2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide?
The InChIKey is ICBFTCOGEDTOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-11(12-15)7-13-10(8-18(13,16)17)6-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H,12,14).
What are the key properties of 2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide?
2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide has a molecular weight of 270.31 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-1,1-dioxothiazetidin-2-yl)-N-hydroxyacetamide is sourced from PubChem (CID 101184823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).