[1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid

C8H17NO3S — CID 10058860

IUPAC[1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid
SMILESCC1CCC(CN)(CS(=O)(=O)O)C1
InChIInChI=1S/C8H17NO3S/c1-7-2-3-8(4-7,5-9)6-13(10,11)12/h7H,2-6,9H2,1H3,(H,10,11,12)
InChIKeyLMIOCQWHTURATC-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.64
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid

[1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid (PubChem CID 10058860) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid
PubChem CID10058860
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name[1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid
SMILESCC1CCC(CN)(CS(=O)(=O)O)C1
InChIInChI=1S/C8H17NO3S/c1-7-2-3-8(4-7,5-9)6-13(10,11)12/h7H,2-6,9H2,1H3,(H,10,11,12)
InChIKeyLMIOCQWHTURATC-UHFFFAOYSA-N
XLogP0.64
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid?
The IUPAC name of [1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid (CID 10058860) is [1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid is CC1CCC(CN)(CS(=O)(=O)O)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid?
The InChIKey is LMIOCQWHTURATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7-2-3-8(4-7,5-9)6-13(10,11)12/h7H,2-6,9H2,1H3,(H,10,11,12).
What are the key properties of [1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid?
[1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid has a molecular weight of 207.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid is sourced from PubChem (CID 10058860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).