(2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide

C12H14N2O3S — CID 10355565

IUPAC(2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide
SMILESCSc1cccc(C(=O)N2CC[C@@H]2C(=O)NO)c1
InChIInChI=1S/C12H14N2O3S/c1-18-9-4-2-3-8(7-9)12(16)14-6-5-10(14)11(15)13-17/h2-4,7,10,17H,5-6H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyJYSPZDMQGOEJES-SNVBAGLBSA-N
MW266.32 g/mol
LogP1.13
Rot. Bonds3

About (2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide

(2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide (PubChem CID 10355565) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is (2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide
PubChem CID10355565
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name(2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide
SMILESCSc1cccc(C(=O)N2CC[C@@H]2C(=O)NO)c1
InChIInChI=1S/C12H14N2O3S/c1-18-9-4-2-3-8(7-9)12(16)14-6-5-10(14)11(15)13-17/h2-4,7,10,17H,5-6H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyJYSPZDMQGOEJES-SNVBAGLBSA-N
XLogP1.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.13
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

(2R)-N-hydroxy-1-[4-methylsulfanyl-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
CID 10066445
(2R)-1-(3,5-dimethoxy-4-methylbenzoyl)-N-hydroxyazetidine-2-carboxamide
CID 10040078
[2-(tert-butylsulfanylmethyl)piperidin-1-yl]-(3-methylsulfanylphenyl)methanone
CID 121023048
N-hydroxy-1-[4-methoxy-3-(trifluoromethoxy)benzoyl]azetidine-2-carboxamide
CID 85079953
(3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone
CID 141208538
1-[4-ethyl-3-(trifluoromethoxy)benzoyl]-N-hydroxyazetidine-2-carboxamide
CID 85087240
methyl 1-(3-propylbenzoyl)azetidine-2-carboxylate
CID 68685528
(2R)-1-[4-butoxy-3-(trifluoromethylsulfanyl)benzoyl]-N-hydroxyazetidine-2-carboxamide
CID 10318338
cyclohexyl-(3-methylsulfanylphenyl)methanone
CID 146007628
(3-methylsulfanylphenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892543
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
(2R)-N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 92666052

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide?
The IUPAC name of (2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide (CID 10355565) is (2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide.
What is the SMILES notation for (2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide?
The canonical SMILES for (2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide is CSc1cccc(C(=O)N2CC[C@@H]2C(=O)NO)c1.
What is the InChIKey of (2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide?
The InChIKey is JYSPZDMQGOEJES-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-18-9-4-2-3-8(7-9)12(16)14-6-5-10(14)11(15)13-17/h2-4,7,10,17H,5-6H2,1H3,(H,13,15)/t10-/m1/s1.
What are the key properties of (2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide?
(2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-1-(3-methylsulfanylbenzoyl)azetidine-2-carboxamide is sourced from PubChem (CID 10355565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).