methanesulfonic acid;oxan-4-amine

C6H15NO4S — CID 71417679

IUPACmethanesulfonic acid;oxan-4-amine
SMILESCS(=O)(=O)O.NC1CCOCC1
InChIInChI=1S/C5H11NO.CH4O3S/c6-5-1-3-7-4-2-5;1-5(2,3)4/h5H,1-4,6H2;1H3,(H,2,3,4)
InChIKeyHYWOMRBXCHZFDV-UHFFFAOYSA-N
MW197.26 g/mol
LogP-0.37
Rot. Bonds

About methanesulfonic acid;oxan-4-amine

methanesulfonic acid;oxan-4-amine (PubChem CID 71417679) has the molecular formula C6H15NO4S and a molecular weight of 197.26 g/mol. Its IUPAC name is methanesulfonic acid;oxan-4-amine.

Molecular Properties

Compound Namemethanesulfonic acid;oxan-4-amine
PubChem CID71417679
Molecular FormulaC6H15NO4S
Molecular Weight197.26 g/mol
Exact Mass197.07
IUPAC Namemethanesulfonic acid;oxan-4-amine
SMILESCS(=O)(=O)O.NC1CCOCC1
InChIInChI=1S/C5H11NO.CH4O3S/c6-5-1-3-7-4-2-5;1-5(2,3)4/h5H,1-4,6H2;1H3,(H,2,3,4)
InChIKeyHYWOMRBXCHZFDV-UHFFFAOYSA-N
XLogP-0.37
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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;oxan-4-amine?
The IUPAC name of methanesulfonic acid;oxan-4-amine (CID 71417679) is methanesulfonic acid;oxan-4-amine.
What is the SMILES notation for methanesulfonic acid;oxan-4-amine?
The canonical SMILES for methanesulfonic acid;oxan-4-amine is CS(=O)(=O)O.NC1CCOCC1.
What is the InChIKey of methanesulfonic acid;oxan-4-amine?
The InChIKey is HYWOMRBXCHZFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CH4O3S/c6-5-1-3-7-4-2-5;1-5(2,3)4/h5H,1-4,6H2;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;oxan-4-amine?
methanesulfonic acid;oxan-4-amine has a molecular weight of 197.26 g/mol, XLogP of -0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;oxan-4-amine is sourced from PubChem (CID 71417679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).