sodium 2-(nonadecylsulfonylamino)acetate

C21H42NNaO4S — CID 101284691

IUPACsodium 2-(nonadecylsulfonylamino)acetate
SMILESCCCCCCCCCCCCCCCCCCCS(=O)(=O)NCC(=O)[O-].[Na+]
InChIInChI=1S/C21H43NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(25,26)22-20-21(23)24;/h22H,2-20H2,1H3,(H,23,24);/q;+1/p-1
InChIKeyBJVPASUEQFFYLD-UHFFFAOYSA-M
MW427.63 g/mol
LogP1.31
Rot. Bonds21

About sodium 2-(nonadecylsulfonylamino)acetate

sodium 2-(nonadecylsulfonylamino)acetate (PubChem CID 101284691) has the molecular formula C21H42NNaO4S and a molecular weight of 427.63 g/mol. Its IUPAC name is sodium 2-(nonadecylsulfonylamino)acetate.

Molecular Properties

Compound Namesodium 2-(nonadecylsulfonylamino)acetate
PubChem CID101284691
Molecular FormulaC21H42NNaO4S
Molecular Weight427.63 g/mol
Exact Mass427.27
IUPAC Namesodium 2-(nonadecylsulfonylamino)acetate
SMILESCCCCCCCCCCCCCCCCCCCS(=O)(=O)NCC(=O)[O-].[Na+]
InChIInChI=1S/C21H43NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(25,26)22-20-21(23)24;/h22H,2-20H2,1H3,(H,23,24);/q;+1/p-1
InChIKeyBJVPASUEQFFYLD-UHFFFAOYSA-M
XLogP1.31
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.63
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-(heptadecylsulfonylamino)acetate
CID 101284688
calcium bis(2-(dodecylsulfonylamino)acetate)
CID 101284783
calcium bis(2-(nonylsulfonylamino)acetate)
CID 101284777
potassium 2-(dodecylsulfonylamino)acetate
CID 101284750
potassium 2-(docosylsulfonylamino)acetate
CID 101284759
calcium bis(2-(heptadecylsulfonylamino)acetate)
CID 101284788
sodium 3-(heptadecylsulfonylamino)propanoate
CID 101284824
2-(nonylsulfonylamino)acetic acid
CID 4052547
2-(tetracosylsulfonylamino)acetic acid
CID 101284702
potassium 3-(dodecylsulfonylamino)propanoate
CID 101285229
potassium 3-(octylsulfonylamino)propanoate
CID 101285225
2-(octylsulfonylamino)-N-[10-[[2-(octylsulfonylamino)acetyl]amino]decyl]acetamide
CID 20789852

Frequently Asked Questions

What is the IUPAC name of sodium 2-(nonadecylsulfonylamino)acetate?
The IUPAC name of sodium 2-(nonadecylsulfonylamino)acetate (CID 101284691) is sodium 2-(nonadecylsulfonylamino)acetate.
What is the SMILES notation for sodium 2-(nonadecylsulfonylamino)acetate?
The canonical SMILES for sodium 2-(nonadecylsulfonylamino)acetate is CCCCCCCCCCCCCCCCCCCS(=O)(=O)NCC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(nonadecylsulfonylamino)acetate?
The InChIKey is BJVPASUEQFFYLD-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H43NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(25,26)22-20-21(23)24;/h22H,2-20H2,1H3,(H,23,24);/q;+1/p-1.
What are the key properties of sodium 2-(nonadecylsulfonylamino)acetate?
sodium 2-(nonadecylsulfonylamino)acetate has a molecular weight of 427.63 g/mol, XLogP of 1.31, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(nonadecylsulfonylamino)acetate is sourced from PubChem (CID 101284691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).