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

C11H22N2O4S — CID 64619020

IUPAC2-[1-(dipropylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCCCN(CCC)S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H22N2O4S/c1-3-5-12(6-4-2)18(16,17)13-8-10(9-13)7-11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyBAQJRENWUQWCSY-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.76
Rot. Bonds8

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

2-[1-(dipropylsulfamoyl)azetidin-3-yl]acetic acid (PubChem CID 64619020) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[1-(dipropylsulfamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(dipropylsulfamoyl)azetidin-3-yl]acetic acid
PubChem CID64619020
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-[1-(dipropylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCCCN(CCC)S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H22N2O4S/c1-3-5-12(6-4-2)18(16,17)13-8-10(9-13)7-11(14)15/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyBAQJRENWUQWCSY-UHFFFAOYSA-N
XLogP0.76
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.76
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-(dipropylsulfamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(dipropylsulfamoyl)azetidin-3-yl]acetic acid (CID 64619020) is 2-[1-(dipropylsulfamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(dipropylsulfamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(dipropylsulfamoyl)azetidin-3-yl]acetic acid is CCCN(CCC)S(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(dipropylsulfamoyl)azetidin-3-yl]acetic acid?
The InChIKey is BAQJRENWUQWCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-3-5-12(6-4-2)18(16,17)13-8-10(9-13)7-11(14)15/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(dipropylsulfamoyl)azetidin-3-yl]acetic acid?
2-[1-(dipropylsulfamoyl)azetidin-3-yl]acetic acid has a molecular weight of 278.37 g/mol, XLogP of 0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dipropylsulfamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64619020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).