1-methylnaphthalene-2-sulfonic acid;2-methylpropane

C15H20O3S — CID 143894377

IUPAC1-methylnaphthalene-2-sulfonic acid;2-methylpropane
SMILESCC(C)C.Cc1c(S(=O)(=O)O)ccc2ccccc12
InChIInChI=1S/C11H10O3S.C4H10/c1-8-10-5-3-2-4-9(10)6-7-11(8)15(12,13)14;1-4(2)3/h2-7H,1H3,(H,12,13,14);4H,1-3H3
InChIKeySCJPESVIVHBJDN-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.06
Rot. Bonds1

About 1-methylnaphthalene-2-sulfonic acid;2-methylpropane

1-methylnaphthalene-2-sulfonic acid;2-methylpropane (PubChem CID 143894377) has the molecular formula C15H20O3S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-methylnaphthalene-2-sulfonic acid;2-methylpropane.

Molecular Properties

Compound Name1-methylnaphthalene-2-sulfonic acid;2-methylpropane
PubChem CID143894377
Molecular FormulaC15H20O3S
Molecular Weight280.39 g/mol
Exact Mass280.11
IUPAC Name1-methylnaphthalene-2-sulfonic acid;2-methylpropane
SMILESCC(C)C.Cc1c(S(=O)(=O)O)ccc2ccccc12
InChIInChI=1S/C11H10O3S.C4H10/c1-8-10-5-3-2-4-9(10)6-7-11(8)15(12,13)14;1-4(2)3/h2-7H,1H3,(H,12,13,14);4H,1-3H3
InChIKeySCJPESVIVHBJDN-UHFFFAOYSA-N
XLogP4.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methylnaphthalene-2-sulfonamide
CID 57353049
1,7-dimethylnaphthalene-2-sulfonic acid
CID 101323785
potassium 1-methylnaphthalene-2-sulfonate
CID 101317089
1-chloronaphthalene-2-sulfonic acid
CID 14389107
1-trimethylsilylnaphthalene-2-sulfonic acid
CID 158918088
acetic acid;naphthalene-1,2-disulfonic acid
CID 162339249
naphthalene-1-sulfonic acid
CID 158712346
methanamine;naphthalene-1-sulfonic acid
CID 174421353
azane;1-formylnaphthalene-2-sulfonic acid
CID 173322674
CID 175114374
CID 175114374
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639

Frequently Asked Questions

What is the IUPAC name of 1-methylnaphthalene-2-sulfonic acid;2-methylpropane?
The IUPAC name of 1-methylnaphthalene-2-sulfonic acid;2-methylpropane (CID 143894377) is 1-methylnaphthalene-2-sulfonic acid;2-methylpropane.
What is the SMILES notation for 1-methylnaphthalene-2-sulfonic acid;2-methylpropane?
The canonical SMILES for 1-methylnaphthalene-2-sulfonic acid;2-methylpropane is CC(C)C.Cc1c(S(=O)(=O)O)ccc2ccccc12.
What is the InChIKey of 1-methylnaphthalene-2-sulfonic acid;2-methylpropane?
The InChIKey is SCJPESVIVHBJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S.C4H10/c1-8-10-5-3-2-4-9(10)6-7-11(8)15(12,13)14;1-4(2)3/h2-7H,1H3,(H,12,13,14);4H,1-3H3.
What are the key properties of 1-methylnaphthalene-2-sulfonic acid;2-methylpropane?
1-methylnaphthalene-2-sulfonic acid;2-methylpropane has a molecular weight of 280.39 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylnaphthalene-2-sulfonic acid;2-methylpropane is sourced from PubChem (CID 143894377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).