2-methylpropane-1-sulfonic acid;propan-1-amine

C7H19NO3S — CID 160863462

IUPAC2-methylpropane-1-sulfonic acid;propan-1-amine
SMILESCC(C)CS(=O)(=O)O.CCCN
InChIInChI=1S/C4H10O3S.C3H9N/c1-4(2)3-8(5,6)7;1-2-3-4/h4H,3H2,1-2H3,(H,5,6,7);2-4H2,1H3
InChIKeySKUIAZGMUGDTQF-UHFFFAOYSA-N
MW197.30 g/mol
LogP0.89
Rot. Bonds3

About 2-methylpropane-1-sulfonic acid;propan-1-amine

2-methylpropane-1-sulfonic acid;propan-1-amine (PubChem CID 160863462) has the molecular formula C7H19NO3S and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-methylpropane-1-sulfonic acid;propan-1-amine.

Molecular Properties

Compound Name2-methylpropane-1-sulfonic acid;propan-1-amine
PubChem CID160863462
Molecular FormulaC7H19NO3S
Molecular Weight197.30 g/mol
Exact Mass197.11
IUPAC Name2-methylpropane-1-sulfonic acid;propan-1-amine
SMILESCC(C)CS(=O)(=O)O.CCCN
InChIInChI=1S/C4H10O3S.C3H9N/c1-4(2)3-8(5,6)7;1-2-3-4/h4H,3H2,1-2H3,(H,5,6,7);2-4H2,1H3
InChIKeySKUIAZGMUGDTQF-UHFFFAOYSA-N
XLogP0.89
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 50.89
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 2-methylpropane-1-sulfonic acid;propan-1-amine?
The IUPAC name of 2-methylpropane-1-sulfonic acid;propan-1-amine (CID 160863462) is 2-methylpropane-1-sulfonic acid;propan-1-amine.
What is the SMILES notation for 2-methylpropane-1-sulfonic acid;propan-1-amine?
The canonical SMILES for 2-methylpropane-1-sulfonic acid;propan-1-amine is CC(C)CS(=O)(=O)O.CCCN.
What is the InChIKey of 2-methylpropane-1-sulfonic acid;propan-1-amine?
The InChIKey is SKUIAZGMUGDTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S.C3H9N/c1-4(2)3-8(5,6)7;1-2-3-4/h4H,3H2,1-2H3,(H,5,6,7);2-4H2,1H3.
What are the key properties of 2-methylpropane-1-sulfonic acid;propan-1-amine?
2-methylpropane-1-sulfonic acid;propan-1-amine has a molecular weight of 197.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1-sulfonic acid;propan-1-amine is sourced from PubChem (CID 160863462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).