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

C16H30N2O2S — CID 65045419

IUPAC[1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
SMILESCS(=O)(=O)C1CCCC1(CN)N1CCCC1C1CCCC1
InChIInChI=1S/C16H30N2O2S/c1-21(19,20)15-9-4-10-16(15,12-17)18-11-5-8-14(18)13-6-2-3-7-13/h13-15H,2-12,17H2,1H3
InChIKeyZGCIGDUKZXNKOU-UHFFFAOYSA-N
MW314.50 g/mol
LogP1.94
Rot. Bonds4

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

[1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine (PubChem CID 65045419) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is [1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
PubChem CID65045419
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Name[1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
SMILESCS(=O)(=O)C1CCCC1(CN)N1CCCC1C1CCCC1
InChIInChI=1S/C16H30N2O2S/c1-21(19,20)15-9-4-10-16(15,12-17)18-11-5-8-14(18)13-6-2-3-7-13/h13-15H,2-12,17H2,1H3
InChIKeyZGCIGDUKZXNKOU-UHFFFAOYSA-N
XLogP1.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65045929
[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,3-dimethylcyclohexyl]methanamine
CID 64762335
[1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65045721
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,3-dimethylcyclohexyl]methanamine
CID 65319468
[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-2H-quinolin-1-yl)cyclohexyl]methanamine
CID 43409671
[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-methylpiperidin-4-yl]methanamine
CID 43628102
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 79917984
[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-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclobutyl]methanamine
CID 79521878

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
The IUPAC name of [1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine (CID 65045419) is [1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine.
What is the SMILES notation for [1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
The canonical SMILES for [1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine is CS(=O)(=O)C1CCCC1(CN)N1CCCC1C1CCCC1.
What is the InChIKey of [1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
The InChIKey is ZGCIGDUKZXNKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-21(19,20)15-9-4-10-16(15,12-17)18-11-5-8-14(18)13-6-2-3-7-13/h13-15H,2-12,17H2,1H3.
What are the key properties of [1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine?
[1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine has a molecular weight of 314.50 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine is sourced from PubChem (CID 65045419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).