N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide

C10H22N2O2S — CID 23563038

IUPACN-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide
SMILESC[C@H]1CC[C@@](CN)(CCNS(C)(=O)=O)C1
InChIInChI=1S/C10H22N2O2S/c1-9-3-4-10(7-9,8-11)5-6-12-15(2,13)14/h9,12H,3-8,11H2,1-2H3/t9-,10+/m0/s1
InChIKeyBHSGPLBWLQMWGF-VHSXEESVSA-N
MW234.36 g/mol
LogP0.69
Rot. Bonds5

About N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide

N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide (PubChem CID 23563038) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide
PubChem CID23563038
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide
SMILESC[C@H]1CC[C@@](CN)(CCNS(C)(=O)=O)C1
InChIInChI=1S/C10H22N2O2S/c1-9-3-4-10(7-9,8-11)5-6-12-15(2,13)14/h9,12H,3-8,11H2,1-2H3/t9-,10+/m0/s1
InChIKeyBHSGPLBWLQMWGF-VHSXEESVSA-N
XLogP0.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide (CID 23563038) is N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide is C[C@H]1CC[C@@](CN)(CCNS(C)(=O)=O)C1.
What is the InChIKey of N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide?
The InChIKey is BHSGPLBWLQMWGF-VHSXEESVSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-9-3-4-10(7-9,8-11)5-6-12-15(2,13)14/h9,12H,3-8,11H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide?
N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide has a molecular weight of 234.36 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,3S)-1-(aminomethyl)-3-methylcyclopentyl]ethyl]methanesulfonamide is sourced from PubChem (CID 23563038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).