methanamine;2-methylpropane-1-sulfonic acid

C5H15NO3S — CID 172748561

IUPACmethanamine;2-methylpropane-1-sulfonic acid
SMILESCC(C)CS(=O)(=O)O.CN
InChIInChI=1S/C4H10O3S.CH5N/c1-4(2)3-8(5,6)7;1-2/h4H,3H2,1-2H3,(H,5,6,7);2H2,1H3
InChIKeyKBDTVXRFPHCUGN-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.11
Rot. Bonds2

About methanamine;2-methylpropane-1-sulfonic acid

methanamine;2-methylpropane-1-sulfonic acid (PubChem CID 172748561) has the molecular formula C5H15NO3S and a molecular weight of 169.25 g/mol. Its IUPAC name is methanamine;2-methylpropane-1-sulfonic acid.

Molecular Properties

Compound Namemethanamine;2-methylpropane-1-sulfonic acid
PubChem CID172748561
Molecular FormulaC5H15NO3S
Molecular Weight169.25 g/mol
Exact Mass169.08
IUPAC Namemethanamine;2-methylpropane-1-sulfonic acid
SMILESCC(C)CS(=O)(=O)O.CN
InChIInChI=1S/C4H10O3S.CH5N/c1-4(2)3-8(5,6)7;1-2/h4H,3H2,1-2H3,(H,5,6,7);2H2,1H3
InChIKeyKBDTVXRFPHCUGN-UHFFFAOYSA-N
XLogP0.11
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.11
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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Related Compounds

acetic acid;methanamine;2-methylpropane-1-sulfonic acid
CID 174998027
2-methylbut-2-enamide;2-methylpropane-1-sulfonic acid
CID 175591238
decan-2-amine;2-methylpropane-1-sulfonic acid
CID 161374900
bicyclo[3.1.1]heptane;2-methylpropane-1-sulfonic acid
CID 175440767
2-methylpropane-1-sulfonic acid;2-methylprop-2-enoic acid;prop-2-enamide
CID 157185498
2-sulfanylpropane-1-sulfonic acid
CID 14389616
CID 87204647
CID 87204647
2-amino-3-hydroxybutane-1-sulfonic acid
CID 15294686
2-methylpropane-1-sulfonamide
CID 10197726
4-amino-2-methylpentane-1-sulfonic acid
CID 89285888
2-methylbutane;bis(2-methylheptane);bis(2-methylhexane);bis(2-methylnonane);bis(2-methyloctane);bis(2-methylpentane);2-methylpropane-1-sulfonic acid
CID 161049519
trihydroxy(2-methylpropyl)-λ4-sulfane
CID 141378076

Frequently Asked Questions

What is the IUPAC name of methanamine;2-methylpropane-1-sulfonic acid?
The IUPAC name of methanamine;2-methylpropane-1-sulfonic acid (CID 172748561) is methanamine;2-methylpropane-1-sulfonic acid.
What is the SMILES notation for methanamine;2-methylpropane-1-sulfonic acid?
The canonical SMILES for methanamine;2-methylpropane-1-sulfonic acid is CC(C)CS(=O)(=O)O.CN.
What is the InChIKey of methanamine;2-methylpropane-1-sulfonic acid?
The InChIKey is KBDTVXRFPHCUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3S.CH5N/c1-4(2)3-8(5,6)7;1-2/h4H,3H2,1-2H3,(H,5,6,7);2H2,1H3.
What are the key properties of methanamine;2-methylpropane-1-sulfonic acid?
methanamine;2-methylpropane-1-sulfonic acid has a molecular weight of 169.25 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-methylpropane-1-sulfonic acid is sourced from PubChem (CID 172748561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).