[(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine

C9H20N2O2S — CID 99997968

IUPAC[(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine
SMILESCCS(=O)(=O)[C@@H]1CCC(CN)(CN)C1
InChIInChI=1S/C9H20N2O2S/c1-2-14(12,13)8-3-4-9(5-8,6-10)7-11/h8H,2-7,10-11H2,1H3/t8-/m1/s1
InChIKeyKDMQGJHURIHGBE-MRVPVSSYSA-N
MW220.34 g/mol
LogP-0.12
Rot. Bonds4

About [(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine

[(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine (PubChem CID 99997968) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is [(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine.

Molecular Properties

Compound Name[(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine
PubChem CID99997968
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name[(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine
SMILESCCS(=O)(=O)[C@@H]1CCC(CN)(CN)C1
InChIInChI=1S/C9H20N2O2S/c1-2-14(12,13)8-3-4-9(5-8,6-10)7-11/h8H,2-7,10-11H2,1H3/t8-/m1/s1
InChIKeyKDMQGJHURIHGBE-MRVPVSSYSA-N
XLogP-0.12
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,3R)-1-(aminomethyl)-3-methylsulfonylcyclopentyl]methanol
CID 99997499
ethylsulfonylcyclopropane
CID 12063392
[1-(2-ethylsulfonylethyl)-3-methylcyclopentyl]methanamine
CID 65403298
[(2S)-1-(aminomethyl)-2-ethylsulfonylcyclopropyl]methanamine
CID 99998717
[(1S)-1-(aminomethyl)-3-methylcyclopentyl]methanesulfonic acid
CID 87828338
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
[(3S)-1-(hydroxymethyl)-3-methylsulfonylcyclopentyl]methanol
CID 99997590
cis-(1S,3S)-1-(aminomethyl)-3-methylsulfonylcyclopentan-1-amine
CID 99997527
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methylcyclobutanesulfonamide
CID 115272617
[4-methyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanamine
CID 65395087
[1-(2-ethylbutyl)-3-methylcyclopentyl]methanamine
CID 82934663
[1-(3,3-difluorocyclobutyl)sulfonylcyclopropyl]methanamine
CID 155895452

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine?
The IUPAC name of [(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine (CID 99997968) is [(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine.
What is the SMILES notation for [(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine?
The canonical SMILES for [(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine is CCS(=O)(=O)[C@@H]1CCC(CN)(CN)C1.
What is the InChIKey of [(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine?
The InChIKey is KDMQGJHURIHGBE-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-2-14(12,13)8-3-4-9(5-8,6-10)7-11/h8H,2-7,10-11H2,1H3/t8-/m1/s1.
What are the key properties of [(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine?
[(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine has a molecular weight of 220.34 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(aminomethyl)-3-ethylsulfonylcyclopentyl]methanamine is sourced from PubChem (CID 99997968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).