2-(propylsulfonylamino)acetic acid

C5H11NO4S — CID 16769294

IUPAC2-(propylsulfonylamino)acetic acid
SMILESCCCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C5H11NO4S/c1-2-3-11(9,10)6-4-5(7)8/h6H,2-4H2,1H3,(H,7,8)
InChIKeyHWHJDFFCYMWXEV-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.60
Rot. Bonds5

About 2-(propylsulfonylamino)acetic acid

2-(propylsulfonylamino)acetic acid (PubChem CID 16769294) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-(propylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(propylsulfonylamino)acetic acid
PubChem CID16769294
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name2-(propylsulfonylamino)acetic acid
SMILESCCCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C5H11NO4S/c1-2-3-11(9,10)6-4-5(7)8/h6H,2-4H2,1H3,(H,7,8)
InChIKeyHWHJDFFCYMWXEV-UHFFFAOYSA-N
XLogP-0.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfonylamino)acetic acid?
The IUPAC name of 2-(propylsulfonylamino)acetic acid (CID 16769294) is 2-(propylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(propylsulfonylamino)acetic acid?
The canonical SMILES for 2-(propylsulfonylamino)acetic acid is CCCS(=O)(=O)NCC(=O)O.
What is the InChIKey of 2-(propylsulfonylamino)acetic acid?
The InChIKey is HWHJDFFCYMWXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-2-3-11(9,10)6-4-5(7)8/h6H,2-4H2,1H3,(H,7,8).
What are the key properties of 2-(propylsulfonylamino)acetic acid?
2-(propylsulfonylamino)acetic acid has a molecular weight of 181.21 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfonylamino)acetic acid is sourced from PubChem (CID 16769294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).