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

C7H13N3O4S — CID 162460115

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

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

1-[2-(methylsulfamoyl)acetyl]azetidine-3-carboxamide (PubChem CID 162460115) has the molecular formula C7H13N3O4S and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-[2-(methylsulfamoyl)acetyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(methylsulfamoyl)acetyl]azetidine-3-carboxamide
PubChem CID162460115
Molecular FormulaC7H13N3O4S
Molecular Weight235.26 g/mol
Exact Mass235.06
IUPAC Name1-[2-(methylsulfamoyl)acetyl]azetidine-3-carboxamide
SMILESCNS(=O)(=O)CC(=O)N1CC(C(N)=O)C1
InChIInChI=1S/C7H13N3O4S/c1-9-15(13,14)4-6(11)10-2-5(3-10)7(8)12/h5,9H,2-4H2,1H3,(H2,8,12)
InChIKeyVPCZJKSMJIEPKC-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

3-[Dimethyl-[3-(2-methylpropanoylamino)propyl]azaniumyl]propane-1-sulfonate
CID 57941901
1-ethylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 142751673
2-[(3-Amino-2-methylpropanoyl)amino]ethanesulfonic acid
CID 54333707
N-[(1-acetylazetidin-3-yl)methyl]methanesulfonamide
CID 59268329
2-methyl-N-(2-sulfamoylethyl)propanamide
CID 61068848
2-Methyl-3-[(2-methylsulfonylacetyl)amino]propanamide
CID 87739302
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-[3-(Methanesulfonamido)-3-oxopropanoyl]azetidine-3-carboxamide
CID 162460106
1-(2-Sulfamoylacetyl)azetidine-3-carboxamide
CID 162460108
N-[2-(azetidin-1-ylsulfonyl)ethyl]-2-methylpropanamide
CID 164739927

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylsulfamoyl)acetyl]azetidine-3-carboxamide?
The IUPAC name of 1-[2-(methylsulfamoyl)acetyl]azetidine-3-carboxamide (CID 162460115) is 1-[2-(methylsulfamoyl)acetyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(methylsulfamoyl)acetyl]azetidine-3-carboxamide?
The canonical SMILES for 1-[2-(methylsulfamoyl)acetyl]azetidine-3-carboxamide is CNS(=O)(=O)CC(=O)N1CC(C(N)=O)C1.
What is the InChIKey of 1-[2-(methylsulfamoyl)acetyl]azetidine-3-carboxamide?
The InChIKey is VPCZJKSMJIEPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4S/c1-9-15(13,14)4-6(11)10-2-5(3-10)7(8)12/h5,9H,2-4H2,1H3,(H2,8,12).
What are the key properties of 1-[2-(methylsulfamoyl)acetyl]azetidine-3-carboxamide?
1-[2-(methylsulfamoyl)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-(methylsulfamoyl)acetyl]azetidine-3-carboxamide is sourced from PubChem (CID 162460115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).