[1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine

C13H27N3O2S — CID 58561678

IUPAC[1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine
SMILESCCCS(=O)(=O)N1CCN(C2(CN)CCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-2-11-19(17,18)16-9-7-15(8-10-16)13(12-14)5-3-4-6-13/h2-12,14H2,1H3
InChIKeyRXZHYKDJCXJEHU-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.62
Rot. Bonds5

About [1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine

[1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine (PubChem CID 58561678) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is [1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine
PubChem CID58561678
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name[1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine
SMILESCCCS(=O)(=O)N1CCN(C2(CN)CCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-2-11-19(17,18)16-9-7-15(8-10-16)13(12-14)5-3-4-6-13/h2-12,14H2,1H3
InChIKeyRXZHYKDJCXJEHU-UHFFFAOYSA-N
XLogP0.62
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine (CID 58561678) is [1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine is CCCS(=O)(=O)N1CCN(C2(CN)CCCC2)CC1.
What is the InChIKey of [1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine?
The InChIKey is RXZHYKDJCXJEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-2-11-19(17,18)16-9-7-15(8-10-16)13(12-14)5-3-4-6-13/h2-12,14H2,1H3.
What are the key properties of [1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine?
[1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine has a molecular weight of 289.44 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propylsulfonylpiperazin-1-yl)cyclopentyl]methanamine is sourced from PubChem (CID 58561678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).