N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine

C13H25NO2S — CID 55161003

IUPACN-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCCC1(CNC2CC2)CCCC1
InChIInChI=1S/C13H25NO2S/c1-17(15,16)10-4-9-13(7-2-3-8-13)11-14-12-5-6-12/h12,14H,2-11H2,1H3
InChIKeyXUNCPOISXFRLDU-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.12
Rot. Bonds7

About N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine

N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 55161003) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine
PubChem CID55161003
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC NameN-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine
SMILESCS(=O)(=O)CCCC1(CNC2CC2)CCCC1
InChIInChI=1S/C13H25NO2S/c1-17(15,16)10-4-9-13(7-2-3-8-13)11-14-12-5-6-12/h12,14H,2-11H2,1H3
InChIKeyXUNCPOISXFRLDU-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine (CID 55161003) is N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine is CS(=O)(=O)CCCC1(CNC2CC2)CCCC1.
What is the InChIKey of N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is XUNCPOISXFRLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-17(15,16)10-4-9-13(7-2-3-8-13)11-14-12-5-6-12/h12,14H,2-11H2,1H3.
What are the key properties of N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine?
N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 259.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylsulfonylpropyl)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 55161003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).