2-(3-methyloctylsulfonylamino)acetic acid

C11H23NO4S — CID 174164640

IUPAC2-(3-methyloctylsulfonylamino)acetic acid
SMILESCCCCCC(C)CCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C11H23NO4S/c1-3-4-5-6-10(2)7-8-17(15,16)12-9-11(13)14/h10,12H,3-9H2,1-2H3,(H,13,14)
InChIKeyOENHPVYNWZKINP-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.60
Rot. Bonds10

About 2-(3-methyloctylsulfonylamino)acetic acid

2-(3-methyloctylsulfonylamino)acetic acid (PubChem CID 174164640) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-(3-methyloctylsulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(3-methyloctylsulfonylamino)acetic acid
PubChem CID174164640
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name2-(3-methyloctylsulfonylamino)acetic acid
SMILESCCCCCC(C)CCS(=O)(=O)NCC(=O)O
InChIInChI=1S/C11H23NO4S/c1-3-4-5-6-10(2)7-8-17(15,16)12-9-11(13)14/h10,12H,3-9H2,1-2H3,(H,13,14)
InChIKeyOENHPVYNWZKINP-UHFFFAOYSA-N
XLogP1.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.60
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyloctylsulfonylamino)acetic acid?
The IUPAC name of 2-(3-methyloctylsulfonylamino)acetic acid (CID 174164640) is 2-(3-methyloctylsulfonylamino)acetic acid.
What is the SMILES notation for 2-(3-methyloctylsulfonylamino)acetic acid?
The canonical SMILES for 2-(3-methyloctylsulfonylamino)acetic acid is CCCCCC(C)CCS(=O)(=O)NCC(=O)O.
What is the InChIKey of 2-(3-methyloctylsulfonylamino)acetic acid?
The InChIKey is OENHPVYNWZKINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-3-4-5-6-10(2)7-8-17(15,16)12-9-11(13)14/h10,12H,3-9H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-methyloctylsulfonylamino)acetic acid?
2-(3-methyloctylsulfonylamino)acetic acid has a molecular weight of 265.37 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyloctylsulfonylamino)acetic acid is sourced from PubChem (CID 174164640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).