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

C8H17NO3S — CID 87828338

IUPAC[(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid
SMILESCC1CC[C@](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)/t7?,8-/m0/s1
InChIKeyLMIOCQWHTURATC-MQWKRIRWSA-N
MW207.29 g/mol
LogP0.64
Rot. Bonds3

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

[(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid (PubChem CID 87828338) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is [(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid.

Molecular Properties

Compound Name[(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid
PubChem CID87828338
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name[(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid
SMILESCC1CC[C@](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)/t7?,8-/m0/s1
InChIKeyLMIOCQWHTURATC-MQWKRIRWSA-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'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid?
The IUPAC name of [(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid (CID 87828338) is [(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid.
What is the SMILES notation for [(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid?
The canonical SMILES for [(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid is CC1CC[C@](CN)(CS(=O)(=O)O)C1.
What is the InChIKey of [(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid?
The InChIKey is LMIOCQWHTURATC-MQWKRIRWSA-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)/t7?,8-/m0/s1.
What are the key properties of [(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid?
[(1S)-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 [(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid is sourced from PubChem (CID 87828338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).