1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide

C8H13N3O5S — CID 162460106

IUPAC1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)CC(=O)N1CC(C(N)=O)C1
InChIInChI=1S/C8H13N3O5S/c1-17(15,16)10-6(12)2-7(13)11-3-5(4-11)8(9)14/h5H,2-4H2,1H3,(H2,9,14)(H,10,12)
InChIKeyFFCBOQGRSCKMGO-UHFFFAOYSA-N
MW263.27 g/mol
LogP-2.60
Rot. Bonds4

About 1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide

1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide (PubChem CID 162460106) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide
PubChem CID162460106
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC Name1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)CC(=O)N1CC(C(N)=O)C1
InChIInChI=1S/C8H13N3O5S/c1-17(15,16)10-6(12)2-7(13)11-3-5(4-11)8(9)14/h5H,2-4H2,1H3,(H2,9,14)(H,10,12)
InChIKeyFFCBOQGRSCKMGO-UHFFFAOYSA-N
XLogP-2.60
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-2.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide
CID 59268329
1-(Methylsulfonyl)azetidine-3-carboxamide
CID 71785510
N-methyl-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513045
1-[2-(Methanesulfonamido)acetyl]azetidine-3-carboxamide
CID 162460101
1-(3-Sulfamoylpropanoyl)azetidine-3-carboxamide
CID 162460104
1-(2-Sulfamoylacetyl)azetidine-3-carboxamide
CID 162460108
1-[2-(Methylsulfamoyl)acetyl]azetidine-3-carboxamide
CID 162460115
N-[3-(methanesulfonamido)-3-oxopropyl]-2-methylpropanamide
CID 171593682
N-[2-(methanesulfonamido)ethyl]azetidine-3-carboxamide
CID 65960944
N-[3-[ethyl(methylsulfonyl)amino]propyl]azetidine-3-carboxamide
CID 65964937
N-(tert-butyl)-1-(methylsulfonyl)azetidine-3-carboxamide
CID 71785460
3-(4,4-Dimethyl-1,1,3-trioxothiazetidin-2-yl)propanamide
CID 79886348

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide?
The IUPAC name of 1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide (CID 162460106) is 1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide?
The canonical SMILES for 1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide is CS(=O)(=O)NC(=O)CC(=O)N1CC(C(N)=O)C1.
What is the InChIKey of 1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide?
The InChIKey is FFCBOQGRSCKMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-17(15,16)10-6(12)2-7(13)11-3-5(4-11)8(9)14/h5H,2-4H2,1H3,(H2,9,14)(H,10,12).
What are the key properties of 1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide?
1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide has a molecular weight of 263.27 g/mol, XLogP of -2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide is sourced from PubChem (CID 162460106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).