2-(nonylsulfonylamino)acetic acid

C11H23NO4S — CID 4052547

IUPAC2-(nonylsulfonylamino)acetic acid
SMILESCCCCCCCCCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C11H23NO4S/c1-2-3-4-5-6-7-8-9-17(15,16)12-10-11(13)14/h12H,2-10H2,1H3,(H,13,14)
InChIKeyAATTYYNRPFYFAX-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.74
Rot. Bonds11

About 2-(nonylsulfonylamino)acetic acid

2-(nonylsulfonylamino)acetic acid (PubChem CID 4052547) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-(nonylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(nonylsulfonylamino)acetic acid
PubChem CID4052547
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name2-(nonylsulfonylamino)acetic acid
SMILESCCCCCCCCCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C11H23NO4S/c1-2-3-4-5-6-7-8-9-17(15,16)12-10-11(13)14/h12H,2-10H2,1H3,(H,13,14)
InChIKeyAATTYYNRPFYFAX-UHFFFAOYSA-N
XLogP1.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(tetracosylsulfonylamino)acetic acid
CID 101284702
calcium bis(2-(nonylsulfonylamino)acetate)
CID 101284777
potassium 2-(dodecylsulfonylamino)acetate
CID 101284750
calcium bis(2-(dodecylsulfonylamino)acetate)
CID 101284783
sodium 2-(nonadecylsulfonylamino)acetate
CID 101284691
sodium 2-(heptadecylsulfonylamino)acetate
CID 101284688
potassium 2-(docosylsulfonylamino)acetate
CID 101284759
calcium bis(2-(heptadecylsulfonylamino)acetate)
CID 101284788
2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide
CID 20789852
11-(octylsulfonylamino)undecanoic acid
CID 4605614
2-(decylsulfonylamino)ethylcarbamic acid
CID 90012721
(E)-10-(hexylsulfamoyl)dec-3-enoic acid
CID 90060320

Frequently Asked Questions

What is the IUPAC name of 2-(nonylsulfonylamino)acetic acid?
The IUPAC name of 2-(nonylsulfonylamino)acetic acid (CID 4052547) is 2-(nonylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(nonylsulfonylamino)acetic acid?
The canonical SMILES for 2-(nonylsulfonylamino)acetic acid is CCCCCCCCCS(=O)(=O)NCC(=O)O.
What is the InChIKey of 2-(nonylsulfonylamino)acetic acid?
The InChIKey is AATTYYNRPFYFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-2-3-4-5-6-7-8-9-17(15,16)12-10-11(13)14/h12H,2-10H2,1H3,(H,13,14).
What are the key properties of 2-(nonylsulfonylamino)acetic acid?
2-(nonylsulfonylamino)acetic acid has a molecular weight of 265.37 g/mol, XLogP of 1.74, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nonylsulfonylamino)acetic acid is sourced from PubChem (CID 4052547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).