2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid

C9H18N2O4S — CID 64618429

IUPAC2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCCN(CC)S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-3-10(4-2)16(14,15)11-6-8(7-11)5-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyUXQHCLUEAOTADA-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.02
Rot. Bonds6

About 2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid

2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid (PubChem CID 64618429) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid
PubChem CID64618429
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCCN(CC)S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H18N2O4S/c1-3-10(4-2)16(14,15)11-6-8(7-11)5-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyUXQHCLUEAOTADA-UHFFFAOYSA-N
XLogP-0.02
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-Methylpropyl)azetidin-3-yl]acetic acid
CID 59456880
1-(Dimethylsulfamoyl)pyrrolidine-3-carboxylic acid;ethane
CID 143148076
4-[Diethylsulfamoyl(methyl)amino]butanoic acid
CID 43151882
4-[[Butyl(methyl)sulfamoyl]-methylamino]butanoic acid
CID 43361577
4-[Dipropylsulfamoyl(methyl)amino]butanoic acid
CID 43361581
1-(Azetidine-1-sulfonyl)piperidine-4-carboxylic acid
CID 60858273
1-(Diethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 63030448
1-(Dipropylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 63031321
1-[Butyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
CID 63032876
2-[1-[Cyclohexyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid
CID 64616223
2-[1-(3,5-Dimethylpiperidin-1-yl)sulfonylazetidin-3-yl]acetic acid
CID 64616228
2-(1-Tert-butylsulfonylazetidin-3-yl)acetic acid
CID 64616611

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid (CID 64618429) is 2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid is CCN(CC)S(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid?
The InChIKey is UXQHCLUEAOTADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-3-10(4-2)16(14,15)11-6-8(7-11)5-9(12)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid?
2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid has a molecular weight of 250.32 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylsulfamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).