2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid

C10H20N2O4S — CID 64619012

IUPAC2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid
SMILESCCCCN(C)S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C10H20N2O4S/c1-3-4-5-11(2)17(15,16)12-7-9(8-12)6-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyCHQNBARLGLKGDT-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.37
Rot. Bonds7

About 2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid

2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid (PubChem CID 64619012) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid
PubChem CID64619012
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid
SMILESCCCCN(C)S(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C10H20N2O4S/c1-3-4-5-11(2)17(15,16)12-7-9(8-12)6-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyCHQNBARLGLKGDT-UHFFFAOYSA-N
XLogP0.37
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Dimethylsulfamoyl(methyl)amino]butanoic acid
CID 39246269
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-[Butyl(methyl)sulfamoyl]azetidine-3-carboxylic acid
CID 64259093
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
2-(1-Butylsulfonylazetidin-3-yl)acetic acid
CID 64616823
2-[1-(3-Methylbutylsulfonyl)azetidin-3-yl]acetic acid
CID 64617019
2-[1-[Methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid
CID 64617023

Frequently Asked Questions

What is the IUPAC name of 2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid (CID 64619012) is 2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid is CCCCN(C)S(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid?
The InChIKey is CHQNBARLGLKGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-3-4-5-11(2)17(15,16)12-7-9(8-12)6-10(13)14/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid?
2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid has a molecular weight of 264.35 g/mol, XLogP of 0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64619012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).