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

C6H12N2O4S — CID 170993030

IUPAC2-[3-(methanesulfonamido)azetidin-1-yl]acetic acid
SMILESCS(=O)(=O)NC1CN(CC(=O)O)C1
InChIInChI=1S/C6H12N2O4S/c1-13(11,12)7-5-2-8(3-5)4-6(9)10/h5,7H,2-4H2,1H3,(H,9,10)
InChIKeyQYOWSXDDXSDUFA-UHFFFAOYSA-N
MW208.24 g/mol
LogP-1.70
Rot. Bonds4

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

2-[3-(methanesulfonamido)azetidin-1-yl]acetic acid (PubChem CID 170993030) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-[3-(methanesulfonamido)azetidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(methanesulfonamido)azetidin-1-yl]acetic acid
PubChem CID170993030
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Name2-[3-(methanesulfonamido)azetidin-1-yl]acetic acid
SMILESCS(=O)(=O)NC1CN(CC(=O)O)C1
InChIInChI=1S/C6H12N2O4S/c1-13(11,12)7-5-2-8(3-5)4-6(9)10/h5,7H,2-4H2,1H3,(H,9,10)
InChIKeyQYOWSXDDXSDUFA-UHFFFAOYSA-N
XLogP-1.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methanesulfonamido)azetidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(methanesulfonamido)azetidin-1-yl]acetic acid (CID 170993030) is 2-[3-(methanesulfonamido)azetidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(methanesulfonamido)azetidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(methanesulfonamido)azetidin-1-yl]acetic acid is CS(=O)(=O)NC1CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(methanesulfonamido)azetidin-1-yl]acetic acid?
The InChIKey is QYOWSXDDXSDUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c1-13(11,12)7-5-2-8(3-5)4-6(9)10/h5,7H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-[3-(methanesulfonamido)azetidin-1-yl]acetic acid?
2-[3-(methanesulfonamido)azetidin-1-yl]acetic acid has a molecular weight of 208.24 g/mol, XLogP of -1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methanesulfonamido)azetidin-1-yl]acetic acid is sourced from PubChem (CID 170993030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).