methanesulfonamido butanoate

C5H11NO4S — CID 91249572

IUPACmethanesulfonamido butanoate
SMILESCCCC(=O)ONS(C)(=O)=O
InChIInChI=1S/C5H11NO4S/c1-3-4-5(7)10-6-11(2,8)9/h6H,3-4H2,1-2H3
InChIKeyMPRKVNZGJZEVCJ-UHFFFAOYSA-N
MW181.21 g/mol
LogP-0.21
Rot. Bonds4

About methanesulfonamido butanoate

methanesulfonamido butanoate (PubChem CID 91249572) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is methanesulfonamido butanoate.

Molecular Properties

Compound Namemethanesulfonamido butanoate
PubChem CID91249572
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Namemethanesulfonamido butanoate
SMILESCCCC(=O)ONS(C)(=O)=O
InChIInChI=1S/C5H11NO4S/c1-3-4-5(7)10-6-11(2,8)9/h6H,3-4H2,1-2H3
InChIKeyMPRKVNZGJZEVCJ-UHFFFAOYSA-N
XLogP-0.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hydrazinyl butanoate;hydrochloride
CID 87356625
chromium;methyl butanoate
CID 174781983
methyl butanoate;tetrahydrochloride
CID 173289582
[(3-methoxyphenyl)sulfonylamino] butanoate
CID 90797879
CID 171374935
CID 171374935
(prop-1-enylamino) butanoate
CID 175361993
dibutanoyl butanedioate
CID 88643975
ethyl hydrogen sulfate;methyl butanoate
CID 87354898
(nonylamino) butanoate
CID 167224180
azane;butanoyloxymethanesulfonic acid
CID 172852716
sodium;butanoyl butanoate;hydride
CID 173362700
ethyl (1,2-13C2)butanoate
CID 157463359

Frequently Asked Questions

What is the IUPAC name of methanesulfonamido butanoate?
The IUPAC name of methanesulfonamido butanoate (CID 91249572) is methanesulfonamido butanoate.
What is the SMILES notation for methanesulfonamido butanoate?
The canonical SMILES for methanesulfonamido butanoate is CCCC(=O)ONS(C)(=O)=O.
What is the InChIKey of methanesulfonamido butanoate?
The InChIKey is MPRKVNZGJZEVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4S/c1-3-4-5(7)10-6-11(2,8)9/h6H,3-4H2,1-2H3.
What are the key properties of methanesulfonamido butanoate?
methanesulfonamido butanoate has a molecular weight of 181.21 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonamido butanoate is sourced from PubChem (CID 91249572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).