1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide

C7H13N3O4S — CID 162460101

IUPAC1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide
SMILESCS(=O)(=O)NCC(=O)N1CC(C(N)=O)C1
InChIInChI=1S/C7H13N3O4S/c1-15(13,14)9-2-6(11)10-3-5(4-10)7(8)12/h5,9H,2-4H2,1H3,(H2,8,12)
InChIKeyOXVJMJJUGJAVER-UHFFFAOYSA-N
MW235.26 g/mol
LogP-2.52
Rot. Bonds4

About 1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide

1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide (PubChem CID 162460101) has the molecular formula C7H13N3O4S and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide
PubChem CID162460101
Molecular FormulaC7H13N3O4S
Molecular Weight235.26 g/mol
Exact Mass235.06
IUPAC Name1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide
SMILESCS(=O)(=O)NCC(=O)N1CC(C(N)=O)C1
InChIInChI=1S/C7H13N3O4S/c1-15(13,14)9-2-6(11)10-3-5(4-10)7(8)12/h5,9H,2-4H2,1H3,(H2,8,12)
InChIKeyOXVJMJJUGJAVER-UHFFFAOYSA-N
XLogP-2.52
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 5-2.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-(Methylsulfonyl)azetidine-3-carbonyl)piperazin-2-one
CID 71785545
N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide
CID 59268329
N-methyl-1-(methylsulfonyl)azetidine-3-carboxamide
CID 90513045
N-[2-(methanesulfonamido)ethyl]azetidine-3-carboxamide;hydrochloride
CID 120306639
1-[2-(Sulfamoylamino)acetyl]azetidine-3-carboxamide
CID 151708967
N-(1-propanoylazetidin-3-yl)methanesulfonamide
CID 155411313
1-(3-Sulfamoylpropanoyl)azetidine-3-carboxamide
CID 162460104
1-[3-(Methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide
CID 162460106
1-(2-Sulfamoylacetyl)azetidine-3-carboxamide
CID 162460108
1-[2-(Methylsulfamoyl)acetyl]azetidine-3-carboxamide
CID 162460115
1-[2-[Methyl(sulfamoyl)amino]acetyl]azetidine-3-carboxamide
CID 162460121
N-[1-(2-methylpropanoyl)azetidin-3-yl]methanesulfonamide
CID 170120086

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide?
The IUPAC name of 1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide (CID 162460101) is 1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide?
The canonical SMILES for 1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide is CS(=O)(=O)NCC(=O)N1CC(C(N)=O)C1.
What is the InChIKey of 1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide?
The InChIKey is OXVJMJJUGJAVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4S/c1-15(13,14)9-2-6(11)10-3-5(4-10)7(8)12/h5,9H,2-4H2,1H3,(H2,8,12).
What are the key properties of 1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide?
1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide has a molecular weight of 235.26 g/mol, XLogP of -2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methanesulfonamido)acetyl]azetidine-3-carboxamide is sourced from PubChem (CID 162460101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).