[1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine

C13H26N2O2S — CID 65045929

IUPAC[1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
SMILESCCC1CCCN1C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C13H26N2O2S/c1-3-11-6-5-9-15(11)13(10-14)8-4-7-12(13)18(2,16)17/h11-12H,3-10,14H2,1-2H3
InChIKeyCWICKDLFICJMOK-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.16
Rot. Bonds4

About [1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine

[1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine (PubChem CID 65045929) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is [1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
PubChem CID65045929
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC Name[1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
SMILESCCC1CCCN1C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C13H26N2O2S/c1-3-11-6-5-9-15(11)13(10-14)8-4-7-12(13)18(2,16)17/h11-12H,3-10,14H2,1-2H3
InChIKeyCWICKDLFICJMOK-UHFFFAOYSA-N
XLogP1.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65045419
[1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 79188215
[1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65044902
[1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65045721
[1-(2,6-dimethylthiomorpholin-4-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65044750
[2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine
CID 65045007
[1-(2-ethylpyrrolidin-1-yl)-3-methylcyclohexyl]methanamine
CID 60974436
[3-(2-ethylazepan-1-yl)-2-methylthian-3-yl]methanamine
CID 104689394
[8-(2-ethylpyrrolidin-1-yl)spiro[4.5]decan-8-yl]methanamine
CID 114818062
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 79917984
1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045771
[4-(2-ethylpiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine
CID 43266395

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
The IUPAC name of [1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine (CID 65045929) is [1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine.
What is the SMILES notation for [1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
The canonical SMILES for [1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine is CCC1CCCN1C1(CN)CCCC1S(C)(=O)=O.
What is the InChIKey of [1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
The InChIKey is CWICKDLFICJMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-3-11-6-5-9-15(11)13(10-14)8-4-7-12(13)18(2,16)17/h11-12H,3-10,14H2,1-2H3.
What are the key properties of [1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
[1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine has a molecular weight of 274.43 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine is sourced from PubChem (CID 65045929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).