sodium 4-(methanesulfonamido)butanoate

C5H10NNaO4S — CID 23522414

IUPACsodium 4-(methanesulfonamido)butanoate
SMILESCS(=O)(=O)NCCCC(=O)[O-].[Na+]
InChIInChI=1S/C5H11NO4S.Na/c1-11(9,10)6-4-2-3-5(7)8;/h6H,2-4H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyVVHBULVWODOFIF-UHFFFAOYSA-M
MW203.19 g/mol
LogP-4.93
Rot. Bonds5

About sodium 4-(methanesulfonamido)butanoate

sodium 4-(methanesulfonamido)butanoate (PubChem CID 23522414) has the molecular formula C5H10NNaO4S and a molecular weight of 203.19 g/mol. Its IUPAC name is sodium 4-(methanesulfonamido)butanoate.

Molecular Properties

Compound Namesodium 4-(methanesulfonamido)butanoate
PubChem CID23522414
Molecular FormulaC5H10NNaO4S
Molecular Weight203.19 g/mol
Exact Mass203.02
IUPAC Namesodium 4-(methanesulfonamido)butanoate
SMILESCS(=O)(=O)NCCCC(=O)[O-].[Na+]
InChIInChI=1S/C5H11NO4S.Na/c1-11(9,10)6-4-2-3-5(7)8;/h6H,2-4H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyVVHBULVWODOFIF-UHFFFAOYSA-M
XLogP-4.93
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-4.93
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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Frequently Asked Questions

What is the IUPAC name of sodium 4-(methanesulfonamido)butanoate?
The IUPAC name of sodium 4-(methanesulfonamido)butanoate (CID 23522414) is sodium 4-(methanesulfonamido)butanoate.
What is the SMILES notation for sodium 4-(methanesulfonamido)butanoate?
The canonical SMILES for sodium 4-(methanesulfonamido)butanoate is CS(=O)(=O)NCCCC(=O)[O-].[Na+].
What is the InChIKey of sodium 4-(methanesulfonamido)butanoate?
The InChIKey is VVHBULVWODOFIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO4S.Na/c1-11(9,10)6-4-2-3-5(7)8;/h6H,2-4H2,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 4-(methanesulfonamido)butanoate?
sodium 4-(methanesulfonamido)butanoate has a molecular weight of 203.19 g/mol, XLogP of -4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(methanesulfonamido)butanoate is sourced from PubChem (CID 23522414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).