[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid

C9H19NO3S — CID 23563031

IUPAC[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid
SMILESC[C@@H]1CC(CN)(CS(=O)(=O)O)C[C@@H]1C
InChIInChI=1S/C9H19NO3S/c1-7-3-9(5-10,4-8(7)2)6-14(11,12)13/h7-8H,3-6,10H2,1-2H3,(H,11,12,13)/t7-,8+,9?
InChIKeyOQVYAGYPTAPIDD-JVHMLUBASA-N
MW221.32 g/mol
LogP0.89
Rot. Bonds3

About [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid

[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid (PubChem CID 23563031) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid.

Molecular Properties

Compound Name[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid
PubChem CID23563031
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid
SMILESC[C@@H]1CC(CN)(CS(=O)(=O)O)C[C@@H]1C
InChIInChI=1S/C9H19NO3S/c1-7-3-9(5-10,4-8(7)2)6-14(11,12)13/h7-8H,3-6,10H2,1-2H3,(H,11,12,13)/t7-,8+,9?
InChIKeyOQVYAGYPTAPIDD-JVHMLUBASA-N
XLogP0.89
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
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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Related Compounds

N-[[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]methyl]cyclopropanesulfonamide
CID 132970571
[1-(Aminomethyl)-3-methylcyclopentyl]methanesulfonic acid
CID 10058860
[1-(Aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonamide
CID 10104896
[1-(Aminomethyl)-3-methylcyclopentyl]methanesulfonamide
CID 11820316
3-[1-(Aminomethyl)-3-methylcyclopentyl]propane-1-sulfonamide
CID 17826900
[(3R,4S)-1-(aminomethyl)-3,4-diethylcyclopentyl]methanesulfonic acid
CID 21358722
[1-(Aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid
CID 21888181
[1-(Aminomethyl)-3,3-dimethylcyclopentyl]methanesulfonic acid
CID 21888281
[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonamide
CID 23563030
[(1R,3S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonamide
CID 23563034
[(1R,3S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid
CID 23563035
[(1R,3R)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonamide
CID 23563041

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid?
The IUPAC name of [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid (CID 23563031) is [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid.
What is the SMILES notation for [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid?
The canonical SMILES for [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid is C[C@@H]1CC(CN)(CS(=O)(=O)O)C[C@@H]1C.
What is the InChIKey of [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid?
The InChIKey is OQVYAGYPTAPIDD-JVHMLUBASA-N. The full InChI is InChI=1S/C9H19NO3S/c1-7-3-9(5-10,4-8(7)2)6-14(11,12)13/h7-8H,3-6,10H2,1-2H3,(H,11,12,13)/t7-,8+,9?.
What are the key properties of [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid?
[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid has a molecular weight of 221.32 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 [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonic acid is sourced from PubChem (CID 23563031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).