methanesulfonic acid;2-methylpropanamide

C5H13NO4S — CID 21255966

IUPACmethanesulfonic acid;2-methylpropanamide
SMILESCC(C)C(N)=O.CS(=O)(=O)O
InChIInChI=1S/C4H9NO.CH4O3S/c1-3(2)4(5)6;1-5(2,3)4/h3H,1-2H3,(H2,5,6);1H3,(H,2,3,4)
InChIKeyZKSPNQCXPCHWFW-UHFFFAOYSA-N
MW183.23 g/mol
LogP-0.37
Rot. Bonds1

About methanesulfonic acid;2-methylpropanamide

methanesulfonic acid;2-methylpropanamide (PubChem CID 21255966) has the molecular formula C5H13NO4S and a molecular weight of 183.23 g/mol. Its IUPAC name is methanesulfonic acid;2-methylpropanamide.

Molecular Properties

Compound Namemethanesulfonic acid;2-methylpropanamide
PubChem CID21255966
Molecular FormulaC5H13NO4S
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC Namemethanesulfonic acid;2-methylpropanamide
SMILESCC(C)C(N)=O.CS(=O)(=O)O
InChIInChI=1S/C4H9NO.CH4O3S/c1-3(2)4(5)6;1-5(2,3)4/h3H,1-2H3,(H2,5,6);1H3,(H,2,3,4)
InChIKeyZKSPNQCXPCHWFW-UHFFFAOYSA-N
XLogP-0.37
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;2-methylpropanamide?
The IUPAC name of methanesulfonic acid;2-methylpropanamide (CID 21255966) is methanesulfonic acid;2-methylpropanamide.
What is the SMILES notation for methanesulfonic acid;2-methylpropanamide?
The canonical SMILES for methanesulfonic acid;2-methylpropanamide is CC(C)C(N)=O.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;2-methylpropanamide?
The InChIKey is ZKSPNQCXPCHWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.CH4O3S/c1-3(2)4(5)6;1-5(2,3)4/h3H,1-2H3,(H2,5,6);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;2-methylpropanamide?
methanesulfonic acid;2-methylpropanamide has a molecular weight of 183.23 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;2-methylpropanamide is sourced from PubChem (CID 21255966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).