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

C8H16N2O4S — CID 114806330

IUPAC2-[1-(propylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCCCNS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C8H16N2O4S/c1-2-3-9-15(13,14)10-5-7(6-10)4-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyWAICYWHSYVQTTQ-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.36
Rot. Bonds6

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

2-[1-(propylsulfamoyl)azetidin-3-yl]acetic acid (PubChem CID 114806330) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[1-(propylsulfamoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(propylsulfamoyl)azetidin-3-yl]acetic acid
PubChem CID114806330
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-[1-(propylsulfamoyl)azetidin-3-yl]acetic acid
SMILESCCCNS(=O)(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C8H16N2O4S/c1-2-3-9-15(13,14)10-5-7(6-10)4-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyWAICYWHSYVQTTQ-UHFFFAOYSA-N
XLogP-0.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,2,2-Trifluoroethylsulfamoyl)azetidin-3-yl]acetic acid
CID 114806332
2-[1-(2,2,2-Trifluoroethylsulfamoyl)azetidin-3-yl]propanoic acid
CID 114807128
4-(Diethylsulfamoylamino)butanoic acid
CID 28783619
4-[[Butyl(methyl)sulfamoyl]amino]butanoic acid
CID 43361166
4-(Dipropylsulfamoylamino)butanoic acid
CID 43361170
2-[1-[Methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid
CID 64617023
2-[1-(Dimethylsulfamoyl)azetidin-3-yl]acetic acid
CID 64617435
2-[1-(Diethylsulfamoyl)azetidin-3-yl]acetic acid
CID 64618429
2-[1-[Butyl(methyl)sulfamoyl]azetidin-3-yl]acetic acid
CID 64619012
2-[1-(Dipropylsulfamoyl)azetidin-3-yl]acetic acid
CID 64619020
2-[[[Butyl(methyl)sulfamoyl]amino]methyl]-3-methylbutanoic acid
CID 65220915
2-[(Dipropylsulfamoylamino)methyl]butanoic acid
CID 65222800

Frequently Asked Questions

What is the IUPAC name of 2-[1-(propylsulfamoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(propylsulfamoyl)azetidin-3-yl]acetic acid (CID 114806330) is 2-[1-(propylsulfamoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(propylsulfamoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(propylsulfamoyl)azetidin-3-yl]acetic acid is CCCNS(=O)(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(propylsulfamoyl)azetidin-3-yl]acetic acid?
The InChIKey is WAICYWHSYVQTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-2-3-9-15(13,14)10-5-7(6-10)4-8(11)12/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[1-(propylsulfamoyl)azetidin-3-yl]acetic acid?
2-[1-(propylsulfamoyl)azetidin-3-yl]acetic acid has a molecular weight of 236.29 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(propylsulfamoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 114806330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).