N-benzyl-4-oxoazetidine-2-sulfinamide

C10H12N2O2S — CID 151417674

IUPACN-benzyl-4-oxoazetidine-2-sulfinamide
SMILESO=C1CC(S(=O)NCc2ccccc2)N1
InChIInChI=1S/C10H12N2O2S/c13-9-6-10(12-9)15(14)11-7-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2,(H,12,13)
InChIKeyOZVZVXVDLOWIJP-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.29
Rot. Bonds4

About N-benzyl-4-oxoazetidine-2-sulfinamide

N-benzyl-4-oxoazetidine-2-sulfinamide (PubChem CID 151417674) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-benzyl-4-oxoazetidine-2-sulfinamide.

Molecular Properties

Compound NameN-benzyl-4-oxoazetidine-2-sulfinamide
PubChem CID151417674
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-benzyl-4-oxoazetidine-2-sulfinamide
SMILESO=C1CC(S(=O)NCc2ccccc2)N1
InChIInChI=1S/C10H12N2O2S/c13-9-6-10(12-9)15(14)11-7-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2,(H,12,13)
InChIKeyOZVZVXVDLOWIJP-UHFFFAOYSA-N
XLogP0.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2246003
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CID 6913980
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CID 15437129
3-methyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]butanamide
CID 17408456
1-methylsulfonyl-N-[(1S)-1-phenylethyl]azetidine-3-carboxamide
CID 95377115
N-(4-fluorobenzyl)-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513075
N-(2,6-difluorobenzyl)-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513195
N-(2,4-difluorobenzyl)-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513243
N-(2-fluorobenzyl)-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513244
1-(cyclopropylsulfonyl)-N-(4-fluorobenzyl)azetidine-3-carboxamide
CID 90513367
1-(cyclopropylsulfonyl)-N-(2,6-difluorobenzyl)azetidine-3-carboxamide
CID 90513497
1-(cyclopropylsulfonyl)-N-(2,4-difluorobenzyl)azetidine-3-carboxamide
CID 90513548

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxoazetidine-2-sulfinamide?
The IUPAC name of N-benzyl-4-oxoazetidine-2-sulfinamide (CID 151417674) is N-benzyl-4-oxoazetidine-2-sulfinamide.
What is the SMILES notation for N-benzyl-4-oxoazetidine-2-sulfinamide?
The canonical SMILES for N-benzyl-4-oxoazetidine-2-sulfinamide is O=C1CC(S(=O)NCc2ccccc2)N1.
What is the InChIKey of N-benzyl-4-oxoazetidine-2-sulfinamide?
The InChIKey is OZVZVXVDLOWIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c13-9-6-10(12-9)15(14)11-7-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2,(H,12,13).
What are the key properties of N-benzyl-4-oxoazetidine-2-sulfinamide?
N-benzyl-4-oxoazetidine-2-sulfinamide has a molecular weight of 224.28 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxoazetidine-2-sulfinamide is sourced from PubChem (CID 151417674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).