methanesulfonic acid;quinoline;thiophene

C14H15NO3S2 — CID 174658970

IUPACmethanesulfonic acid;quinoline;thiophene
SMILESCS(=O)(=O)O.c1ccc2ncccc2c1.c1ccsc1
InChIInChI=1S/C9H7N.C4H4S.CH4O3S/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-5-3-1;1-5(2,3)4/h1-7H;1-4H;1H3,(H,2,3,4)
InChIKeyWZUJFRCDKZUYNP-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.49
Rot. Bonds

About methanesulfonic acid;quinoline;thiophene

methanesulfonic acid;quinoline;thiophene (PubChem CID 174658970) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is methanesulfonic acid;quinoline;thiophene.

Molecular Properties

Compound Namemethanesulfonic acid;quinoline;thiophene
PubChem CID174658970
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC Namemethanesulfonic acid;quinoline;thiophene
SMILESCS(=O)(=O)O.c1ccc2ncccc2c1.c1ccsc1
InChIInChI=1S/C9H7N.C4H4S.CH4O3S/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-5-3-1;1-5(2,3)4/h1-7H;1-4H;1H3,(H,2,3,4)
InChIKeyWZUJFRCDKZUYNP-UHFFFAOYSA-N
XLogP3.49
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;quinoline;thiophene?
The IUPAC name of methanesulfonic acid;quinoline;thiophene (CID 174658970) is methanesulfonic acid;quinoline;thiophene.
What is the SMILES notation for methanesulfonic acid;quinoline;thiophene?
The canonical SMILES for methanesulfonic acid;quinoline;thiophene is CS(=O)(=O)O.c1ccc2ncccc2c1.c1ccsc1.
What is the InChIKey of methanesulfonic acid;quinoline;thiophene?
The InChIKey is WZUJFRCDKZUYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C4H4S.CH4O3S/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-5-3-1;1-5(2,3)4/h1-7H;1-4H;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;quinoline;thiophene?
methanesulfonic acid;quinoline;thiophene has a molecular weight of 309.41 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;quinoline;thiophene is sourced from PubChem (CID 174658970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).