methanesulfonic acid;2,3,4-trimethylpentan-3-amine

C9H23NO3S — CID 173156179

IUPACmethanesulfonic acid;2,3,4-trimethylpentan-3-amine
SMILESCC(C)C(C)(N)C(C)C.CS(=O)(=O)O
InChIInChI=1S/C8H19N.CH4O3S/c1-6(2)8(5,9)7(3)4;1-5(2,3)4/h6-7H,9H2,1-5H3;1H3,(H,2,3,4)
InChIKeyBCLBYNDKQVWKSH-UHFFFAOYSA-N
MW225.35 g/mol
LogP1.52
Rot. Bonds2

About methanesulfonic acid;2,3,4-trimethylpentan-3-amine

methanesulfonic acid;2,3,4-trimethylpentan-3-amine (PubChem CID 173156179) has the molecular formula C9H23NO3S and a molecular weight of 225.35 g/mol. Its IUPAC name is methanesulfonic acid;2,3,4-trimethylpentan-3-amine.

Molecular Properties

Compound Namemethanesulfonic acid;2,3,4-trimethylpentan-3-amine
PubChem CID173156179
Molecular FormulaC9H23NO3S
Molecular Weight225.35 g/mol
Exact Mass225.14
IUPAC Namemethanesulfonic acid;2,3,4-trimethylpentan-3-amine
SMILESCC(C)C(C)(N)C(C)C.CS(=O)(=O)O
InChIInChI=1S/C8H19N.CH4O3S/c1-6(2)8(5,9)7(3)4;1-5(2,3)4/h6-7H,9H2,1-5H3;1H3,(H,2,3,4)
InChIKeyBCLBYNDKQVWKSH-UHFFFAOYSA-N
XLogP1.52
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methanesulfonic acid;2,3,4-trimethylpentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4-trimethylpentan-3-amine;hydrobromide
CID 18185119
potassium;carbonic acid;hydride;2,3,4-trimethylpentan-3-amine
CID 174931544
ethanol;2,3,4-trimethylpentan-3-amine
CID 175160017
N,N-dimethylmethanamine;2,3,4-trimethylpentan-3-amine
CID 87751828
2,3-dimethylbutane-2,3-diamine;sulfuric acid
CID 175026836
2-aminopropane-2-sulfonic acid
CID 18332427
2-aminobutan-2-ol;methanesulfonic acid;hydrochloride
CID 174426895
hydroxylamine;methanesulfonic acid;hydrochloride
CID 87157729
methanesulfonic acid;methanetriol
CID 174918384
N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide
CID 59560469
methanesulfonic acid;1-sulfanylethanol
CID 174795676
hexane;2,3,4-trimethylpentan-3-amine
CID 174790441

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;2,3,4-trimethylpentan-3-amine?
The IUPAC name of methanesulfonic acid;2,3,4-trimethylpentan-3-amine (CID 173156179) is methanesulfonic acid;2,3,4-trimethylpentan-3-amine.
What is the SMILES notation for methanesulfonic acid;2,3,4-trimethylpentan-3-amine?
The canonical SMILES for methanesulfonic acid;2,3,4-trimethylpentan-3-amine is CC(C)C(C)(N)C(C)C.CS(=O)(=O)O.
What is the InChIKey of methanesulfonic acid;2,3,4-trimethylpentan-3-amine?
The InChIKey is BCLBYNDKQVWKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.CH4O3S/c1-6(2)8(5,9)7(3)4;1-5(2,3)4/h6-7H,9H2,1-5H3;1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;2,3,4-trimethylpentan-3-amine?
methanesulfonic acid;2,3,4-trimethylpentan-3-amine has a molecular weight of 225.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;2,3,4-trimethylpentan-3-amine is sourced from PubChem (CID 173156179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).