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

C9H20N2O2S — CID 23563030

IUPAC[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonamide
SMILESC[C@@H]1CC(CN)(CS(N)(=O)=O)C[C@@H]1C
InChIInChI=1S/C9H20N2O2S/c1-7-3-9(5-10,4-8(7)2)6-14(11,12)13/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13)/t7-,8+,9?
InChIKeyVWMFPMMAWJKGGU-JVHMLUBASA-N
MW220.34 g/mol
LogP0.29
Rot. Bonds3

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

[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonamide (PubChem CID 23563030) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonamide.

Molecular Properties

Compound Name[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonamide
PubChem CID23563030
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonamide
SMILESC[C@@H]1CC(CN)(CS(N)(=O)=O)C[C@@H]1C
InChIInChI=1S/C9H20N2O2S/c1-7-3-9(5-10,4-8(7)2)6-14(11,12)13/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13)/t7-,8+,9?
InChIKeyVWMFPMMAWJKGGU-JVHMLUBASA-N
XLogP0.29
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonamide?
The IUPAC name of [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonamide (CID 23563030) is [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonamide.
What is the SMILES notation for [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonamide?
The canonical SMILES for [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonamide is C[C@@H]1CC(CN)(CS(N)(=O)=O)C[C@@H]1C.
What is the InChIKey of [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonamide?
The InChIKey is VWMFPMMAWJKGGU-JVHMLUBASA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-7-3-9(5-10,4-8(7)2)6-14(11,12)13/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13)/t7-,8+,9?.
What are the key properties of [(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonamide?
[(3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]methanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.29, 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]methanesulfonamide is sourced from PubChem (CID 23563030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).