4-(methanesulfonamido)butanoate

C5H10NO4S- — CID 7446981

IUPAC4-(methanesulfonamido)butanoate
SMILESCS(=O)(=O)NCCCC(=O)[O-]
InChIInChI=1S/C5H11NO4S/c1-11(9,10)6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)/p-1
InChIKeyQXNVFRLQNKSJBT-UHFFFAOYSA-M
MW180.20 g/mol
LogP-1.93
Rot. Bonds5

About 4-(methanesulfonamido)butanoate

4-(methanesulfonamido)butanoate (PubChem CID 7446981) has the molecular formula C5H10NO4S- and a molecular weight of 180.20 g/mol. Its IUPAC name is 4-(methanesulfonamido)butanoate.

Molecular Properties

Compound Name4-(methanesulfonamido)butanoate
PubChem CID7446981
Molecular FormulaC5H10NO4S-
Molecular Weight180.20 g/mol
Exact Mass180.03
IUPAC Name4-(methanesulfonamido)butanoate
SMILESCS(=O)(=O)NCCCC(=O)[O-]
InChIInChI=1S/C5H11NO4S/c1-11(9,10)6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)/p-1
InChIKeyQXNVFRLQNKSJBT-UHFFFAOYSA-M
XLogP-1.93
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 5-1.93
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 4-(methanesulfonamido)butanoate?
The IUPAC name of 4-(methanesulfonamido)butanoate (CID 7446981) is 4-(methanesulfonamido)butanoate.
What is the SMILES notation for 4-(methanesulfonamido)butanoate?
The canonical SMILES for 4-(methanesulfonamido)butanoate is CS(=O)(=O)NCCCC(=O)[O-].
What is the InChIKey of 4-(methanesulfonamido)butanoate?
The InChIKey is QXNVFRLQNKSJBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO4S/c1-11(9,10)6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)/p-1.
What are the key properties of 4-(methanesulfonamido)butanoate?
4-(methanesulfonamido)butanoate has a molecular weight of 180.20 g/mol, XLogP of -1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)butanoate is sourced from PubChem (CID 7446981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).